SCHEMBL20217633

SCHEMBL20217633

CC(=N)c1cc(C(=O)NC(c2ncccn2)C2CCCC2)ccc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.43
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
AKT1 P31749 3/20 0.40
KIT P10721 4/20 0.39
NSD2 O96028 2/20 0.38
SETD2 Q9BYW2 2/20 0.38
CYP3A4 P08684 2/20 0.36
TTK P33981 2/20 0.36
AURKB Q96GD4 2/20 0.36
INCENP Q9NQS7 2/20 0.36
ROCK2 O75116 1/20 0.35
CDK2 P24941 1/20 0.35
MAPK14 Q16539 2/20 0.35
SMYD3 Q9H7B4 1/20 0.35
LCK P06239 1/20 0.35
SRC P12931 1/20 0.35
PLAU P00749 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
SCHEMBL20217332 1.00 TRPM8 (0.43) TRPM8MEN1ALDH1A1MAPK1KMT2A
SCHEMBL20217145 0.89 CYP3A4 (0.47) TRPM8MEN1ALDH1A1MAPK1KMT2A
SCHEMBL20217368 0.88 CYP3A4 (0.46) TRPM8MEN1ALDH1A1MAPK1KMT2A
SCHEMBL20217337 0.87 TRPM8 (0.33) TRPM8AKT1KITLRRK2
SCHEMBL20217267 0.84 MEN1 (0.56) MEN1ALDH1A1MAPK1KMT2AAKT1
SCHEMBL20217157 0.83 MEN1 (0.54) MEN1ALDH1A1MAPK1KMT2AAKT1
SCHEMBL20217642 0.81 CYP3A4 (0.44) MAPK1CYP3A4TTKAURKBINCENP
SCHEMBL20217242 0.80 AKT1 (0.41) MEN1ALDH1A1MAPK1KMT2AAKT1
SCHEMBL20217349 0.79 CYP3A4 (0.50) TRPM8MEN1ALDH1A1MAPK1KMT2A
SCHEMBL20217601 0.79 CYP3A4 (0.41) TRPM8MEN1ALDH1A1MAPK1KMT2A

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-2766352-B1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIV HEALTH NETWORK UHN (CA) 2018-06-06 EP disclosed