SCHEMBL20217601

SCHEMBL20217601

N=C(c1ccc(N2CC(C3COC3)C2)cc1)c1cc(C(=O)NC(c2ncccn2)C2CCCC2)ccc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.41
TTK P33981 5/20 0.41
AURKB Q96GD4 5/20 0.41
INCENP Q9NQS7 5/20 0.41
TRPM8 Q7Z2W7 1/20 0.36
WDR91 A4D1P6 1/20 0.33
F10 P00742 2/20 0.32
LRRK2 Q5S007 1/20 0.32
BMPR1B O00238 1/20 0.32
BMPR1A P36894 1/20 0.32
TGFBR1 P36897 1/20 0.32
ACVRL1 P37023 1/20 0.32
ACVR1 Q04771 1/20 0.32
AKT1 P31749 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
SMYD3 Q9H7B4 2/20 0.31
WDR5 P61964 1/20 0.31

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
SCHEMBL20217446 0.80 CYP3A4 (0.53) CYP3A4TTKAURKBINCENPTRPM8
SCHEMBL20217484 0.79 CYP3A4 (0.65) CYP3A4TTKAURKBINCENPTRPM8
SCHEMBL20217633 0.79 TRPM8 (0.43) CYP3A4TTKAURKBINCENPTRPM8
SCHEMBL20217332 0.79 TRPM8 (0.43) CYP3A4TTKAURKBINCENPTRPM8
SCHEMBL16292138 0.78 TTK (0.66) CYP3A4TTKAURKBINCENP
SCHEMBL16292137 0.78 TTK (0.66) CYP3A4TTKAURKBINCENP
SCHEMBL20217432 0.78 KMT2A (0.47) CYP3A4MEN1ALDH1A1MAPK1KMT2A
SCHEMBL20217641 0.77 CYP3A4 (0.47) CYP3A4TTKAURKBINCENPWDR91
SCHEMBL20217349 0.76 CYP3A4 (0.50) CYP3A4TTKAURKBINCENPTRPM8
SCHEMBL20217579 0.76 CYP3A4 (0.65) CYP3A4TTKAURKBINCENPWDR5

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