SCHEMBL20217161

SCHEMBL20217161

N=C(I)c1cc(C(=O)NC(c2ccccc2)C2CCC2)ccc1N

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
MAPK1 P28482 1/20 0.52
KMT2A Q03164 1/20 0.52
SMYD3 Q9H7B4 3/20 0.45
CDK2 P24941 1/20 0.45
AKT1 P31749 1/20 0.45
TTK P33981 1/20 0.41
AURKB Q96GD4 1/20 0.41
INCENP Q9NQS7 1/20 0.41
TACR3 P29371 5/20 0.41
KCNK3 O14649 1/20 0.38
RIPK1 Q13546 1/20 0.37
KCNA5 P22460 1/20 0.37

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 0.89 MEN1 (0.54) MEN1ALDH1A1MAPK1KMT2ASMYD3
SCHEMBL20217267 0.86 MEN1 (0.56) MEN1ALDH1A1MAPK1KMT2ASMYD3
SCHEMBL20217694 0.83 MEN1 (0.47) MEN1ALDH1A1MAPK1KMT2ASMYD3
SCHEMBL20217385 0.82 CYP3A4 (0.46) MEN1ALDH1A1MAPK1KMT2ACDK2
SCHEMBL20217743 0.81 MEN1 (0.45) MEN1ALDH1A1MAPK1KMT2ASMYD3
SCHEMBL20217277 0.80 MEN1 (0.43) MEN1ALDH1A1MAPK1KMT2ASMYD3
SCHEMBL20217441 0.80 MAPK1 (0.47) MEN1ALDH1A1MAPK1KMT2ASMYD3
SCHEMBL20217369 0.76 KMT2A (0.48) MEN1ALDH1A1MAPK1KMT2ASMYD3
SCHEMBL20217236 0.76 HDAC3 (0.44) MEN1ALDH1A1MAPK1KMT2ASMYD3
SCHEMBL20217335 0.76 F10 (0.43) MEN1ALDH1A1MAPK1KMT2ASMYD3

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