SCHEMBL5866802

SCHEMBL5866802

COc1cccnc1Oc1cccc2c(-c3nc4ccc(N5CC(CN(C)C)OCC5C)cc4[nH]3)n[nH]c12

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 7/20 0.39
CBFB Q13951 1/20 0.36
FGFR1 P11362 10/20 0.36
FLT1 P17948 6/20 0.35
CDK4 P11802 2/20 0.35
CCNA2 P20248 2/20 0.35
CCND1 P24385 2/20 0.35
CDK2 P24941 2/20 0.35
CCND3 P30281 2/20 0.35
FLT3 P36888 1/20 0.33
PDPK1 O15530 1/20 0.33
LCK P06239 1/20 0.33

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
SCHEMBL3542095 0.91 FGFR1 (0.34) ABL1FGFR1FLT1FLT3PDPK1
SCHEMBL3595759 0.90 FGFR1 (0.38) ABL1FGFR1FLT1FLT3PDPK1
SCHEMBL5866756 0.87 FGFR1 (0.35) ABL1FGFR1FLT1FLT3PDPK1
SCHEMBL3539088 0.85 FGFR1 (0.39) ABL1FGFR1FLT1CDK4CCNA2
SCHEMBL5866691 0.84 FGFR1 (0.40) ABL1FGFR1FLT1CDK2FLT3
SCHEMBL3538825 0.82 FOXO1 (0.39) ABL1FGFR1FLT1CDK4CCNA2
SCHEMBL3532400 0.81 FGFR1 (0.54) ABL1FGFR1FLT1CDK2FLT3
SCHEMBL3536935 0.81 FGFR1 (0.39) ABL1FGFR1FLT1FLT3PDPK1
SCHEMBL3535802 0.81 FGFR1 (0.37) ABL1FGFR1FLT1FLT3PDPK1
SCHEMBL6582455 0.81 ABL1 (0.53) ABL1FGFR1FLT1FLT3

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