SCHEMBL28548985

SCHEMBL28548985

Cc1nc(Nc2ncc(C(=O)Nc3cccc(Cl)c3C)s2)cc(N2CCN(CCO)CC2)n1

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKMYT1 Q99640 3/20 0.88
▸ ABL1 P00519 13/20 0.81
▸ SRC P12931 5/20 0.81
▸ BCR P11274 3/20 0.81
▸ EPHB6 O15197 2/20 0.81
▸ EGFR P00533 2/20 0.81
▸ LCK P06239 2/20 0.81
▸ FYN P06241 2/20 0.81
▸ CSF1R P07333 2/20 0.81
▸ YES1 P07947 2/20 0.81
▸ LYN P07948 2/20 0.81
▸ RET P07949 2/20 0.81
▸ HCK P08631 2/20 0.81
▸ KIT P10721 2/20 0.81
▸ BRAF P15056 2/20 0.81
▸ EPHA1 P21709 2/20 0.81
▸ EPHA2 P29317 2/20 0.81
▸ EPHA3 P29320 2/20 0.81
▸ EPHA8 P29322 2/20 0.81
▸ EPHB2 P29323 2/20 0.81

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
SCHEMBL18231278 0.94 PKMYT1 (1.00) PKMYT1ABL1SRCBCREPHB6
SCHEMBL31634941 0.94 PKMYT1 (1.00) PKMYT1ABL1SRCBCREPHB6
SCHEMBL1704876 0.91 ABL1 (0.92) PKMYT1ABL1SRCBCREPHB6
Dasatinib Anhydrous SCHEMBL29381185 0.89 ABL1 (1.00) PKMYT1ABL1SRCBCREPHB6
Dasatinib Anhydrous SCHEMBL8226 0.89 ABL1 (1.00) PKMYT1ABL1SRCBCREPHB6
Dasatinib Anhydrous SCHEMBL28350326 0.89 ABL1 (1.00) PKMYT1ABL1SRCBCREPHB6
SCHEMBL28430772 0.89 ABL1 (0.83) PKMYT1ABL1SRCBCREPHB6
SCHEMBL20537284 0.89 PKMYT1 (0.85) PKMYT1ABL1SRCBCREPHB6
Dasatinib Anhydrous SCHEMBL20857008 0.89 ABL1 (0.98) PKMYT1ABL1SRCBCREPHB6
Dasatinib Anhydrous SCHEMBL1705152 0.89 ABL1 (0.98) PKMYT1ABL1SRCBCREPHB6

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112755193-A Method of treating malignancies with anti-tyrosine kinase inhibitors using dianhydrogalactitol or a derivative thereof 德玛医药 2021-05-07 — — CN disclosed
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