SCHEMBL22017247

SCHEMBL22017247

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

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BRAF P15056 15/20 0.62
KIT P10721 3/20 0.61
EGFR P00533 13/20 0.60
ABL1 P00519 1/20 0.57
CSF1R P07333 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
SCHEMBL22017772 0.92 BRAF (0.64) BRAFKITEGFRABL1
SCHEMBL22017230 0.89 BRAF (0.62) BRAFKITEGFRCSF1R
SCHEMBL22018092 0.88 BRAF (0.60) BRAFKITEGFRABL1CSF1R
SCHEMBL22018093 0.87 BRAF (0.59) BRAFKITEGFRABL1CSF1R
SCHEMBL22017245 0.86 KIT (0.65) BRAFKITEGFRABL1
SCHEMBL22018088 0.84 TMPRSS2 (0.61) BRAFKITEGFRABL1
SCHEMBL17208605 0.82 KIT (0.64) BRAFKITEGFRABL1
SCHEMBL22024678 0.80 BRAF (0.81) BRAFKITEGFRCSF1R
SCHEMBL19500739 0.79 KIT (0.78) BRAFKITEGFRABL1
SCHEMBL22024682 0.79 BRAF (0.82) BRAFKITEGFRCSF1R

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