SCHEMBL31474786

SCHEMBL31474786

CN1CCN(Cc2ccc(NC(=O)c3cncc(C#Cc4cncc5nccn45)c3)cc2C(F)(F)F)CC1

nearest known ligand 0.79

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 12/20 0.79
▸ ABL2 P42684 3/20 0.79
▸ MAPK14 Q16539 3/20 0.79
▸ RET P07949 3/20 0.72
▸ FGFR1 P11362 4/20 0.66
▸ KDR P35968 4/20 0.66
▸ KIF5B P33176 1/20 0.64
▸ CCDC6 Q16204 1/20 0.64
▸ KIT P10721 2/20 0.60

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
SCHEMBL24283328 1.00 ABL1 (0.79) ABL1ABL2MAPK14RETFGFR1
SCHEMBL21843620 0.95 ABL1 (0.78) ABL1ABL2MAPK14RETFGFR1
SCHEMBL31474781 0.95 ABL1 (0.78) ABL1ABL2MAPK14RETFGFR1
SCHEMBL21843524 0.89 RET (0.70) ABL1ABL2MAPK14RETFGFR1
SCHEMBL21843575 0.89 ABL1 (0.76) ABL1ABL2MAPK14RETFGFR1
SCHEMBL31474783 0.89 ABL1 (0.76) ABL1ABL2MAPK14RETFGFR1
SCHEMBL21843651 0.88 RET (0.72) ABL1ABL2MAPK14RETFGFR1
SCHEMBL31060358 0.88 ABL1 (1.00) ABL1ABL2MAPK14RETFGFR1
SCHEMBL15061726 0.87 ABL1 (0.67) ABL1ABL2MAPK14RETFGFR1
SCHEMBL21843537 0.87 ABL1 (0.77) ABL1ABL2MAPK14RETFGFR1

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
CN-113227094-B Alkynyl nicotinamide compounds as kinase inhibitors 普渡研究基金会 2025-02-11 — — CN disclosed
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