SCHEMBL4555951

SCHEMBL4555951

CCC(=O)N1CCN(c2ccc(Nc3nccc(-c4c[nH]c5ccc(F)cc45)n3)cc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 13/20 0.65
▸ CDK2 P24941 8/20 0.59
▸ CDK1 P06493 5/20 0.59
▸ CCNB1 P14635 4/20 0.59
▸ CCNE1 P24864 3/20 0.59
▸ IGF1R P08069 2/20 0.49
▸ DYRK1B Q9Y463 2/20 0.49
▸ ACVR1 Q04771 2/20 0.48
▸ CDK7 P50613 5/20 0.48
▸ CCNH P51946 3/20 0.48
▸ MNAT1 P51948 3/20 0.48
▸ AURKA O14965 2/20 0.47
▸ CDK9 P50750 2/20 0.47
▸ AURKB Q96GD4 2/20 0.47
▸ CDK4 P11802 1/20 0.47
▸ MAPK8 P45983 2/20 0.45
▸ MAPK9 P45984 2/20 0.45
▸ CHEK1 O14757 1/20 0.45
▸ DAPK3 O43293 1/20 0.45
▸ JAK2 O60674 1/20 0.45

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
SCHEMBL3048139 0.93 FLT3 (0.63) FLT3CDK2CDK1CCNB1CCNE1
SCHEMBL3043711 0.91 FLT3 (0.62) FLT3CDK2CDK1CCNB1CCNE1
SCHEMBL3162405 0.90 FLT3 (0.60) FLT3CDK2CDK1CCNB1CCNE1
SCHEMBL3041597 0.90 FLT3 (0.60) FLT3CDK2CDK1CCNB1CCNE1
SCHEMBL3040112 0.89 FLT3 (0.62) FLT3CDK2CDK1CCNB1CCNE1
SCHEMBL3041623 0.88 FLT3 (0.58) FLT3CDK2CDK1CCNB1CCNE1
SCHEMBL3045421 0.87 FLT3 (0.59) FLT3CDK2CDK1CCNB1CCNE1
SCHEMBL3041619 0.87 FLT3 (0.57) FLT3CDK2CDK1CCNB1CCNE1
SCHEMBL3036401 0.87 FLT3 (0.60) FLT3CDK2CDK1CCNB1CCNE1
SCHEMBL3043746 0.87 FLT3 (0.62) FLT3CDK2CDK1CCNB1CCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2040546-A2 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2009-04-01 — — EP claimed
WO-2007149427-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2007-12-27 — — WO claimed
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