SCHEMBL22017245

SCHEMBL22017245

CC(C)Oc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1N

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KIT P10721 6/20 0.65
BRAF P15056 9/20 0.62
EGFR P00533 7/20 0.62
RET P07949 1/20 0.57
ABL1 P00519 2/20 0.56
FGFR1 P11362 1/20 0.56

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
SCHEMBL22017241 0.87 KIT (0.62) KITBRAFEGFRRETABL1
SCHEMBL22017247 0.86 BRAF (0.62) KITBRAFEGFRABL1
SCHEMBL22018088 0.86 TMPRSS2 (0.61) KITBRAFEGFRABL1FGFR1
SCHEMBL22018091 0.86 KIT (0.61) KITBRAFEGFRRETABL1
SCHEMBL4254627 0.86 KIT (0.79) KITBRAFEGFRABL1
SCHEMBL22017230 0.86 BRAF (0.62) KITBRAFEGFR
SCHEMBL27671596 0.83 KIT (0.68) KITBRAFEGFRRETABL1
SCHEMBL3561769 0.83 KIT (0.76) KITBRAFEGFRABL1
SCHEMBL19500739 0.82 KIT (0.78) KITBRAFEGFRABL1FGFR1
SCHEMBL12871531 0.81 KIT (0.84) KITBRAFEGFRABL1

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-2020098710-A1 SUBSTITUTED BIS-ARYL AMIDE COMPOUND AND PREPARATION METHOD AND APPLICATION THEREFOR 中国医学科学院医药生物技术研究所 2020-05-22 WO disclosed