SCHEMBL20922005

SCHEMBL20922005

CC(=O)Nc1ccc(CN2CCCC2)c(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
KIT P10721 5/20 0.54
ABL1 P00519 5/20 0.54
MKNK2 Q9HBH9 5/20 0.54
BCR P11274 4/20 0.54
MKNK1 Q9BUB5 4/20 0.54
CYP3A4 P08684 2/20 0.54
SRC P12931 1/20 0.53
RET P07949 3/20 0.53
KDR P35968 2/20 0.53
BRAF P15056 1/20 0.51
CCNC P24863 1/20 0.51
CDK8 P49336 1/20 0.51

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
SCHEMBL31053459 0.90 KIT (0.66) KITABL1SRCBRAFCDK8
SCHEMBL14704589 0.90 MKNK2 (0.65) KITABL1MKNK2BCRMKNK1
SCHEMBL14704590 0.90 KIT (0.66) KITABL1SRCBRAFCDK8
SCHEMBL2777943 0.88 KIT (0.57) KITABL1MKNK2BCRMKNK1
SCHEMBL24403549 0.88 ABL1 (0.53) KITABL1MKNK2BCRMKNK1
SCHEMBL28027108 0.88 KIT (0.56) KITABL1MKNK2BCRMKNK1
SCHEMBL3166509 0.86 KIT (0.51) KITABL1MKNK2BCRMKNK1
SCHEMBL28756487 0.85 MKNK2 (0.51) KITABL1MKNK2BCRMKNK1
SCHEMBL4929396 0.85 KIT (0.52) KITABL1MKNK2BCRMKNK1
SCHEMBL27289083 0.84 SRC (0.52) KITABL1MKNK2BCRMKNK1

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
EP-3473624-A1 NOVEL IMIDAZOPYRIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING CANCER Daegu-Gyeongbuk Medical Innovation Foundation (KR) 2019-04-24 EP disclosed