SCHEMBL5866748

SCHEMBL5866748

COc1ccc(S(=O)(=O)Nc2ccc3[nH]nc(-c4nc5ccc(N6CC(CN(C)C)OCC6C)cc5[nH]4)c3c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITK Q08881 2/20 0.46
ABL1 P00519 4/20 0.43
PDPK1 O15530 5/20 0.42
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CHEK2 O96017 1/20 0.40
AURKA O14965 1/20 0.40
AURKB Q96GD4 1/20 0.40
FLT3 P36888 4/20 0.39
FGFR1 P11362 3/20 0.39
FLT1 P17948 2/20 0.39
BCR P11274 1/20 0.39
KDR P35968 1/20 0.38

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
SCHEMBL3534641 0.92 PDPK1 (0.43) ITKABL1PDPK1MAPTSMN1; SMN2
SCHEMBL6582455 0.88 ABL1 (0.53) ABL1FLT3FGFR1FLT1BCR
SCHEMBL5866736 0.87 PDPK1 (0.39) ABL1PDPK1MAPTSMN1; SMN2CHEK2
SCHEMBL3533655 0.87 MAPT (0.43) ITKABL1PDPK1MAPTSMN1; SMN2
SCHEMBL5866637 0.86 TTK (0.43) ABL1PDPK1FLT3FGFR1FLT1
SCHEMBL5866728 0.83 ABL1 (0.51) ABL1FGFR1FLT1KDR
SCHEMBL5866631 0.83 ABL1 (0.51) ABL1FGFR1FLT1KDR
SCHEMBL5866636 0.83 ABL1 (0.51) ABL1FGFR1FLT1KDR
SCHEMBL3532328 0.83 PDPK1 (0.52) ABL1PDPK1FLT3FGFR1FLT1
SCHEMBL5866643 0.83 ABL1 (0.51) ABL1FGFR1FLT1KDR

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
US-7064215-B2 Indazole benzimidazole compounds CHIRON CORPORATION (US) 2006-06-20 US disclosed