SCHEMBL31474781

SCHEMBL31474781

CN1CCN(Cc2ccc(NC(=O)c3cncc(C#Cc4cnc5cnccn45)c3)cc2C(F)(F)F)CC1

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 13/20 0.78
▸ RET P07949 4/20 0.71
▸ ABL2 P42684 3/20 0.71
▸ MAPK14 Q16539 3/20 0.71
▸ FGFR1 P11362 3/20 0.65
▸ KDR P35968 3/20 0.65
▸ NTRK1 P04629 2/20 0.64
▸ NTRK3 Q16288 2/20 0.64
▸ NTRK2 Q16620 2/20 0.64
▸ KIF5B P33176 1/20 0.64
▸ CCDC6 Q16204 1/20 0.64
▸ DDR1 Q08345 1/20 0.61
▸ DDR2 Q16832 1/20 0.61
▸ KIT P10721 1/20 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
SCHEMBL21843620 1.00 ABL1 (0.78) ABL1RETABL2MAPK14FGFR1
SCHEMBL24283328 0.95 ABL1 (0.79) ABL1RETABL2MAPK14FGFR1
SCHEMBL31474786 0.95 ABL1 (0.79) ABL1RETABL2MAPK14FGFR1
SCHEMBL15061726 0.92 ABL1 (0.67) ABL1RETABL2MAPK14FGFR1
SCHEMBL10207568 0.92 ABL1 (0.79) ABL1RETABL2MAPK14FGFR1
SCHEMBL21843575 0.91 ABL1 (0.76) ABL1RETABL2MAPK14FGFR1
SCHEMBL31474783 0.91 ABL1 (0.76) ABL1RETABL2MAPK14FGFR1
SCHEMBL21843651 0.91 RET (0.72) ABL1RETABL2MAPK14FGFR1
SCHEMBL21843525 0.89 RET (0.70) ABL1RETABL2MAPK14FGFR1
SCHEMBL15061738 0.89 ABL1 (0.77) ABL1RETABL2MAPK14NTRK1

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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