SCHEMBL28665642

SCHEMBL28665642

CC(C)(C)OC(=O)Nc1ccc(F)c(Nc2cccc(C(C)(C)C#N)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.47
RORC P51449 7/20 0.39
KDR P35968 4/20 0.39
TTK P33981 1/20 0.37
EGLN2 Q96KS0 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
BRD4 O60885 1/20 0.35
BRAF P15056 1/20 0.35
CDK1 P06493 1/20 0.35

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
SCHEMBL28679540 0.88 TAS2R14 (0.46) SYKRORCKDRRXFP1CDK1
SCHEMBL20577982 0.85 GRM4 (0.42) SYKRORCKDRRXFP1BRAF
SCHEMBL20577989 0.73 CBLB (0.50) RXFP1
SCHEMBL20578168 0.73 MAPK14 (0.41) RORCKDR
SCHEMBL20578026 0.72 KDR (0.51) RORCKDRRXFP1BRAF
SCHEMBL20577966 0.72 KDR (0.43) RORCKDRBRAF
SCHEMBL28664640 0.71 RXFP1 (0.45) SYKKDRRXFP1BRAF
SCHEMBL20577951 0.71 RXFP1 (0.54) SYKKDRRXFP1BRAF
SCHEMBL16524048 0.71 STK17B (0.48) SYKRORCCDK1
SCHEMBL13244157 0.70 GRM4 (0.51) SYKRORCTTKEGLN2

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-109071543-B Pyridine derivatives inhibiting RAF kinase and vascular endothelial growth factor receptor, process for their preparation, pharmaceutical compositions containing them and their use 三进制药株式会社 2021-07-16 CN disclosed