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Dasatinib Anhydrous

Dasatinib Anhydrous

SCHEMBL4236003

[2H]C1([2H])CN(c2cc(Nc3ncc(C(=O)Nc4c(C)cccc4Cl)s3)nc(C)n2)C([2H])([2H])C([2H])([2H])N1CCO

nearest known ligand 0.82

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1BCRBLKEPHA2FGRFRKFYNHCKKITLCKLYNPDGFRBSRCSRMSYES1

The experimentally established mechanism targets of Dasatinib Anhydrous. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 known ✓ P00519 9/20 0.82
▸ SRC known ✓ P12931 5/20 0.82
▸ LCK known ✓ P06239 5/20 0.82
▸ FYN known ✓ P06241 2/20 0.82
▸ YES1 known ✓ P07947 2/20 0.82
▸ LYN known ✓ P07948 2/20 0.82
▸ HCK known ✓ P08631 2/20 0.82
▸ KIT known ✓ P10721 2/20 0.82
▸ BCR known ✓ P11274 2/20 0.82
▸ EPHA2 known ✓ P29317 2/20 0.82
▸ FRK known ✓ P42685 2/20 0.82
▸ PDGFRB known ✓ P09619 1/20 0.81
▸ FGR known ✓ P09769 1/20 0.81
▸ BLK known ✓ P51451 1/20 0.81
▸ SRMS known ✓ Q9H3Y6 1/20 0.81
▸ PKMYT1 Q99640 3/20 0.82
▸ EPHB6 O15197 2/20 0.82
▸ EGFR P00533 2/20 0.82
▸ CSF1R P07333 2/20 0.82
▸ RET P07949 2/20 0.82

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Dasatinib Anhydrous SCHEMBL4225776 0.96 ABL1 (0.77) ABL1SRCLCKPKMYT1EPHB6
Dasatinib Anhydrous SCHEMBL29482420 0.96 ABL1 (0.83) ABL1SRCLCKPKMYT1EPHB6
Dasatinib Anhydrous SCHEMBL13804153 0.96 ABL1 (0.83) ABL1SRCLCKPKMYT1EPHB6
Dasatinib Anhydrous SCHEMBL13804157 0.93 ABL1 (0.78) ABL1SRCLCKPKMYT1EPHB6
Dasatinib Anhydrous SCHEMBL29381185 0.90 ABL1 (1.00) ABL1SRCLCKPKMYT1EPHB6
Dasatinib Anhydrous SCHEMBL28350326 0.90 ABL1 (1.00) ABL1SRCLCKPKMYT1EPHB6
Dasatinib Anhydrous SCHEMBL8226 0.90 ABL1 (1.00) ABL1SRCLCKPKMYT1EPHB6
Dasatinib Anhydrous SCHEMBL1705152 0.90 ABL1 (0.98) ABL1SRCLCKPKMYT1EPHB6
Dasatinib Anhydrous SCHEMBL20857008 0.90 ABL1 (0.98) ABL1SRCLCKPKMYT1EPHB6
Dasatinib Anhydrous SCHEMBL16618598 0.90 ABL1 (1.00) ABL1SRCLCKPKMYT1EPHB6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130095100-A1 HETEROCYCLIC KINASE INHIBITORS CONCERT PHARMACEUTICALS, INC. (US) 2013-04-18 — — US disclosed
US-8338425-B2 Heterocyclic kinase inhibitors CONCERT PHARMACEUTICALS, INC. (US) 2012-12-25 — — US disclosed
US-20090149399-A1 HETEROCYCLIC KINASE INHIBITORS CONCERT PHARMACEUTICALS INC. (US) 2009-06-11 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090149399-A1 HETEROCYCLIC KINASE INHIBITORS ABL1, ABL2, SRC ABL1 1/4885SRC 3/4885LCK 6/4885
US-20130095100-A1 HETEROCYCLIC KINASE INHIBITORS ABL1, ABL2, SRC ABL1 1/4885SRC 3/4885LCK 6/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.