SCHEMBL22018092

SCHEMBL22018092

CCC(=O)Nc1cc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)ccc1OCCCCl

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BRAF P15056 14/20 0.60
EGFR P00533 12/20 0.59
KIT P10721 3/20 0.59
ABL1 P00519 1/20 0.57
CSF1R P07333 1/20 0.55

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
SCHEMBL22018093 0.98 BRAF (0.59) BRAFEGFRKITABL1CSF1R
SCHEMBL22017772 0.90 BRAF (0.64) BRAFEGFRKITABL1
SCHEMBL22017247 0.88 BRAF (0.62) BRAFEGFRKITABL1CSF1R
SCHEMBL22017588 0.88 TMPRSS2 (0.64) BRAFEGFRABL1
SCHEMBL22017241 0.87 KIT (0.62) BRAFEGFRKITABL1
SCHEMBL22018091 0.85 KIT (0.61) BRAFEGFRKITABL1
SCHEMBL22017401 0.84 TMPRSS2 (0.68) BRAFEGFRKITABL1
SCHEMBL22017395 0.82 EGFR (0.49) BRAFEGFRKITABL1
SCHEMBL22017757 0.82 TMPRSS2 (0.67) BRAFEGFRKITABL1
SCHEMBL22017239 0.81 TMPRSS2 (0.70) BRAFEGFRKITABL1

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