SCHEMBL15870552

SCHEMBL15870552

OC[C@H](Nc1cncc(-c2ccc(F)cc2)c1)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNC P24863 2/20 0.64
▸ CDK8 P49336 2/20 0.64
▸ FDPS P14324 1/20 0.47
▸ CDK2 P24941 3/20 0.46
▸ CDK7 P50613 1/20 0.46
▸ FGFR1 P11362 7/20 0.46
▸ FGFR2 P21802 7/20 0.46
▸ FGFR3 P22607 7/20 0.46
▸ ABL1 P00519 3/20 0.46
▸ EGFR P00533 3/20 0.46
▸ INSR P06213 3/20 0.46
▸ RET P07949 3/20 0.46
▸ SRC P12931 3/20 0.46
▸ FGFR4 P22455 3/20 0.46
▸ LTK P29376 3/20 0.46
▸ KDR P35968 3/20 0.46
▸ MERTK Q12866 3/20 0.46
▸ ERBB4 Q15303 3/20 0.46
▸ ALK Q9UM73 3/20 0.46
▸ ERBB2 P04626 2/20 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
SCHEMBL15870508 0.87 CCNC (0.64) CCNCCDK8FDPSCDK2CDK7
SCHEMBL15870515 0.87 CCNC (0.64) CCNCCDK8FDPSCDK2CDK7
SCHEMBL15870506 0.87 CCNC (0.64) CCNCCDK8FDPSCDK2CDK7
SCHEMBL15870505 0.85 CCNC (0.62) CCNCCDK8FDPSCDK2CDK7
SCHEMBL15870566 0.85 CDK8 (0.61) CCNCCDK8FDPSCDK2CDK7
SCHEMBL15870568 0.84 CCNC (0.61) CCNCCDK8FDPSCDK2CDK7
SCHEMBL15870532 0.84 CCNC (0.63) CCNCCDK8FDPSCDK2CDK7
SCHEMBL15870509 0.84 CCNC (0.60) CCNCCDK8FDPSCDK2CDK7
SCHEMBL15870567 0.84 CCNC (0.60) CCNCCDK8FDPSCDK2CDK7
SCHEMBL15870557 0.83 CDK8 (0.59) CCNCCDK8FDPSCDK2CDK7

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-2014106606-A1 NOVE PHENYL/PYRIDINE SERIES SUBSTITUED BY HYDROXYETHYLAMINO FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2014-07-10 — — WO disclosed
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