SCHEMBL24233040

SCHEMBL24233040

CN1CCN(Cc2ccc(NC(=O)Nc3nnc(-c4ccncc4)s3)cc2C(F)(F)F)CC1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 6/20 0.68
▸ BLM P54132 6/20 0.64
▸ WRN Q14191 1/20 0.64
▸ BRAF P15056 1/20 0.57
▸ ABL1 P00519 5/20 0.56
▸ CDK1 P06493 1/20 0.55
▸ CDK2 P24941 1/20 0.55
▸ CDK8 P49336 1/20 0.55
▸ FGFR4 P22455 1/20 0.55
▸ RET P07949 2/20 0.54
▸ CSF1R P07333 1/20 0.54
▸ KIT P10721 1/20 0.54
▸ MKNK2 Q9HBH9 1/20 0.53

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
SCHEMBL19911109 0.81 SRC (1.00) SRCBRAFABL1CDK1CDK2
SCHEMBL24449241 0.81 ABL1 (0.60) SRCBRAFABL1CDK1CDK2
SCHEMBL24449225 0.80 SRC (0.61) SRCABL1CDK1CDK2CDK8
SCHEMBL24449270 0.79 SRC (0.60) SRCBRAFABL1CDK1CDK2
SCHEMBL29602870 0.78 BLM (1.00) BLMWRN
SCHEMBL20659647 0.78 BLM (1.00) BLMWRN
SCHEMBL24233232 0.77 BLM (1.00) BLMWRN
SCHEMBL24449284 0.77 SRC (0.68) SRCBRAFABL1CDK1CDK2
SCHEMBL19317695 0.77 ABL1 (0.72) SRCABL1CDK1CDK2CDK8
SCHEMBL20912769 0.76 KIT (0.71) SRCBRAFABL1KIT

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
WO-2022026823-A1 CDK19-SELECTIVE INHIBITORS, AND METHODS OF USE THEREOF CHAN ZUCKERBERG BIOHUB, INC. (US) 2022-02-03 — — WO disclosed
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