Dasatinib Anhydrous

Dasatinib Anhydrous

SCHEMBL1767233

CC(=O)OC(C)C.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1

nearest known ligand 0.87

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 10/20 0.87
SRC known ✓ P12931 5/20 0.87
LCK known ✓ P06239 4/20 0.87
FYN known ✓ P06241 2/20 0.87
YES1 known ✓ P07947 2/20 0.87
LYN known ✓ P07948 2/20 0.87
HCK known ✓ P08631 2/20 0.87
KIT known ✓ P10721 2/20 0.87
BCR known ✓ P11274 2/20 0.87
EPHA2 known ✓ P29317 2/20 0.87
FRK known ✓ P42685 2/20 0.87
PDGFRB known ✓ P09619 1/20 0.85
FGR known ✓ P09769 1/20 0.85
BLK known ✓ P51451 1/20 0.85
SRMS known ✓ Q9H3Y6 1/20 0.85
PKMYT1 Q99640 3/20 0.87
EPHB6 O15197 2/20 0.87
EGFR P00533 2/20 0.87
CSF1R P07333 2/20 0.87
RET P07949 2/20 0.87

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 SCHEMBL27833571 0.94 ABL1 (0.90) ABL1SRCLCKPKMYT1EPHB6
Dasatinib Anhydrous SCHEMBL1363032 0.93 ABL1 (0.94) ABL1SRCLCKPKMYT1EPHB6
Dasatinib Anhydrous SCHEMBL8226 0.93 ABL1 (1.00) ABL1SRCLCKPKMYT1EPHB6
Dasatinib Anhydrous SCHEMBL28350326 0.93 ABL1 (1.00) ABL1SRCLCKPKMYT1EPHB6
Dasatinib Anhydrous SCHEMBL29381185 0.93 ABL1 (1.00) ABL1SRCLCKPKMYT1EPHB6
Dasatinib Anhydrous SCHEMBL3468968 0.92 ABL1 (0.96) ABL1SRCLCKPKMYT1EPHB6
Dasatinib Anhydrous SCHEMBL16618598 0.92 ABL1 (1.00) ABL1SRCLCKPKMYT1EPHB6
Dasatinib Anhydrous SCHEMBL20857008 0.92 ABL1 (0.98) ABL1SRCLCKPKMYT1EPHB6
Dasatinib Anhydrous SCHEMBL1705152 0.92 ABL1 (0.98) ABL1SRCLCKPKMYT1EPHB6
Dasatinib Anhydrous SCHEMBL29482416 0.92 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010067374-A2 POLYMORPHS OF DASATINIB HETERO RESEARCH FOUNDATION (IN) 2010-06-17 WO claimed
WO-2010067374-A3 POLYMORPHS OF DASATINIB HETERO RESEARCH FOUNDATION (IN) 2011-05-26 WO disclosed
WO-2010067374-A2 POLYMORPHS OF DASATINIB HETERO RESEARCH FOUNDATION (IN) 2010-06-17 WO disclosed
WO-2010067374-A2 POLYMORPHS OF DASATINIB HETERO RESEARCH FOUNDATION (IN) 2010-06-17 WO disclosed