SCHEMBL5866637

SCHEMBL5866637

CC1COC(CN(C)C)CN1c1ccc2nc(-c3n[nH]c4ccc(NS(=O)(=O)c5cccs5)cc34)[nH]c2c1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TTK P33981 1/20 0.43
PDPK1 O15530 6/20 0.42
ABL1 P00519 6/20 0.39
BCR P11274 6/20 0.39
FLT3 P36888 4/20 0.39
FGFR1 P11362 4/20 0.39
FLT1 P17948 4/20 0.39

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 0.89 PDPK1 (0.43) PDPK1ABL1BCRFLT3FGFR1
SCHEMBL5866748 0.86 ITK (0.46) PDPK1ABL1BCRFLT3FGFR1
SCHEMBL3533655 0.84 MAPT (0.43) PDPK1ABL1BCRFLT3FGFR1
SCHEMBL3532328 0.83 PDPK1 (0.52) PDPK1ABL1BCRFLT3FGFR1
SCHEMBL3532400 0.82 FGFR1 (0.54) PDPK1ABL1BCRFLT3FGFR1
SCHEMBL5866797 0.81 PDPK1 (0.51) PDPK1ABL1BCRFLT3FGFR1
SCHEMBL15868927 0.80 FGFR1 (0.45) PDPK1ABL1BCRFLT3FGFR1
SCHEMBL6582455 0.80 ABL1 (0.53) ABL1BCRFLT3FGFR1FLT1
SCHEMBL3535364 0.80 FLT3 (0.42) PDPK1ABL1FLT3FGFR1FLT1
SCHEMBL3539832 0.79 FGFR1 (0.42) PDPK1ABL1BCRFLT3FGFR1

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