SCHEMBL20530356

SCHEMBL20530356

CN(C)C(=O)c1ccc(-c2ccc3nnn(Cc4cccc5cccnc45)c3n2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 6/20 0.39
MET P08581 12/20 0.37
SLC22A12 Q96S37 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CDKL5 O76039 1/20 0.35

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
SCHEMBL20530371 0.89 MET (0.43) METSLC22A12
SCHEMBL20530349 0.88 MET (0.48) METCDKL5
SCHEMBL20530351 0.88 GRIN2B (0.39) GRIN2BMETKDM4EALDH1A1HPGD
SCHEMBL20530342 0.87 MET (0.41) GRIN2BMETKDM4EALDH1A1HPGD
SCHEMBL20530317 0.87 MET (0.40) METSLC22A12ALDH1A1HPGDHSD17B10
SCHEMBL20530315 0.87 MET (0.40) METCDKL5
SCHEMBL20530303 0.87 MET (0.49) METKDM4ECDKL5
SCHEMBL20530361 0.86 MET (0.40) METCDKL5
SCHEMBL1330396 0.86 MET (0.52) METCDKL5
SCHEMBL20530357 0.85 MEN1 (0.42) METCDKL5

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-2571878-B1 NOVEL 3,5-DISUBSTITUED-3H-IMIDAZO[4,5-B]PYRIDINE AND 3,5- DISUBSTITUED -3H-[1,2,3]TRIAZOLO[4,5-B]PYRIDINE COMPOUNDS AS MODULATORS OF PROTEIN KINASES INCOZEN THERAPEUTICS PVT LTD (IN) 2018-10-17 EP claimed