SCHEMBL22017772

SCHEMBL22017772

CCC(=O)Nc1cc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)ccc1OC

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRAF P15056 12/20 0.64
KIT P10721 3/20 0.63
EGFR P00533 10/20 0.62
FGFR1 P11362 1/20 0.60
ABL1 P00519 2/20 0.58
MAP3K7 O43318 1/20 0.57
MAP4K2 Q12851 1/20 0.57

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
SCHEMBL22017247 0.92 BRAF (0.62) BRAFKITEGFRABL1
SCHEMBL22018092 0.90 BRAF (0.60) BRAFKITEGFRABL1
SCHEMBL22018093 0.89 BRAF (0.59) BRAFKITEGFRABL1
SCHEMBL15127741 0.86 KIT (0.63) BRAFKITEGFRFGFR1ABL1
SCHEMBL19500739 0.86 KIT (0.78) BRAFKITEGFRFGFR1ABL1
SCHEMBL22017243 0.84 KMT2A (0.57) EGFR
SCHEMBL24122650 0.84 KIT (0.79) BRAFKITFGFR1ABL1
SCHEMBL30011074 0.84 KIT (0.79) BRAFKITFGFR1ABL1
SCHEMBL17208605 0.83 KIT (0.64) BRAFKITEGFRABL1
SCHEMBL22017403 0.83 KIT (0.63) BRAFKITEGFRFGFR1ABL1

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