SCHEMBL20217441

SCHEMBL20217441

CC(=N)c1cc(C(=O)NC(c2ccccc2)C2CCOCC2)ccc1N

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 7/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47
SMYD3 Q9H7B4 4/20 0.43
CDK2 P24941 1/20 0.43
AKT1 P31749 1/20 0.43
RIPK1 Q13546 1/20 0.40
TTK P33981 1/20 0.40
AURKB Q96GD4 1/20 0.40
INCENP Q9NQS7 1/20 0.40
BRD4 O60885 2/20 0.39
TACR3 P29371 2/20 0.39
KCNA5 P22460 1/20 0.38
PPARG P37231 1/20 0.38

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
SCHEMBL20217157 0.91 MEN1 (0.54) MAPK1MEN1ALDH1A1KMT2ASMYD3
SCHEMBL20217267 0.90 MEN1 (0.56) MAPK1MEN1ALDH1A1KMT2ASMYD3
SCHEMBL20217642 0.85 CYP3A4 (0.44) MAPK1TTKAURKBINCENPBRD4
SCHEMBL20217236 0.81 HDAC3 (0.44) MAPK1MEN1ALDH1A1KMT2ASMYD3
SCHEMBL20217747 0.80 CYP3A4 (0.47) MAPK1MEN1ALDH1A1KMT2ASMYD3
SCHEMBL20217161 0.80 MEN1 (0.52) MAPK1MEN1ALDH1A1KMT2ASMYD3
SCHEMBL20217694 0.80 MEN1 (0.47) MAPK1MEN1ALDH1A1KMT2ASMYD3
SCHEMBL20217262 0.79 F10 (0.46) MAPK1MEN1ALDH1A1KMT2ASMYD3
SCHEMBL20217743 0.78 MEN1 (0.45) MAPK1MEN1ALDH1A1KMT2ASMYD3
SCHEMBL20217242 0.77 AKT1 (0.41) MAPK1MEN1ALDH1A1KMT2AAKT1

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