SCHEMBL7617932

SCHEMBL7617932

Fc1cccc2[nH]cc(-c3ccnc(Nc4ccccc4)n3)c12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNB2 O95067 6/20 0.58
▸ CDK1 P06493 6/20 0.58
▸ CCNB1 P14635 6/20 0.58
▸ CCNB3 Q8WWL7 6/20 0.58
▸ RET P07949 4/20 0.53
▸ ABL1 P00519 2/20 0.51
▸ EGFR P00533 2/20 0.51
▸ PRKCA P17252 2/20 0.51
▸ PRKCD Q05655 2/20 0.51
▸ PRKACA P17612 2/20 0.51
▸ PRKACG P22612 2/20 0.51
▸ PRKACB P22694 2/20 0.51
▸ BCR P11274 1/20 0.51
▸ SRC P12931 1/20 0.51
▸ FLT3 P36888 3/20 0.48
▸ MKNK1 Q9BUB5 1/20 0.48
▸ MKNK2 Q9HBH9 1/20 0.48
▸ AURKA O14965 1/20 0.47
▸ JAK2 O60674 1/20 0.47
▸ EIF2AK2 P19525 3/20 0.46

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
SCHEMBL6257630 0.86 CCNB2 (0.58) CCNB2CDK1CCNB1CCNB3RET
SCHEMBL6261474 0.83 HTR1A (0.65) CCNB2CDK1CCNB1CCNB3RET
SCHEMBL3048118 0.83 JAK2 (0.58) FLT3AURKAJAK2CDK2CDK4
SCHEMBL31588329 0.81 CCNB2 (0.76) CCNB2CDK1CCNB1CCNB3RET
SCHEMBL144954 0.81 CCNB2 (0.76) CCNB2CDK1CCNB1CCNB3RET
SCHEMBL2539205 0.79 CCNB2 (0.69) CCNB2CDK1CCNB1CCNB3RET
SCHEMBL6260797 0.78 CCNB2 (0.63) CCNB2CDK1CCNB1CCNB3RET
SCHEMBL30369303 0.77 CDK5 (0.71) CCNB2CDK1CCNB1CCNB3PRKCA
SCHEMBL28982781 0.77 CDK5 (0.71) CCNB2CDK1CCNB1CCNB3PRKCA
SCHEMBL4510383 0.77 FLT3 (0.64) CCNB2CDK1CCNB1CCNB3RET

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-2002102783-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2002-12-27 — — WO disclosed
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