SCHEMBL20217341

SCHEMBL20217341

N=C(c1ccc(N2C3CCC2CC(O)C3)cc1)c1cc(C(=O)NCc2ncccn2)ccc1N

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.40
TTK P33981 1/20 0.40
AURKB Q96GD4 1/20 0.40
INCENP Q9NQS7 1/20 0.40
HSP90AA1 P07900 5/20 0.35
HSP90AB1 P08238 5/20 0.35
RAB9A P51151 1/20 0.34
KLKB1 P03952 6/20 0.34
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
MAPK8 P45983 2/20 0.33
VNN1 O95497 1/20 0.33
PPARG P37231 1/20 0.32
NAMPT P43490 1/20 0.32
SMYD3 Q9H7B4 1/20 0.32

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
SCHEMBL20217804 0.91 RAB9A (0.43) CYP3A4TTKAURKBINCENPRAB9A
SCHEMBL20217636 0.82 NAMPT (0.39) HSP90AA1HSP90AB1KLKB1NAMPT
SCHEMBL20217630 0.80 RAB9A (0.45) CYP3A4TTKAURKBINCENPRAB9A
SCHEMBL20217587 0.78 CYP3A4 (0.37) CYP3A4TTKAURKBINCENPHSP90AA1
SCHEMBL20217529 0.77 L3MBTL1 (0.45) CYP3A4RAB9AALDH1A1LMNA
SCHEMBL20217423 0.75 KDM4E (0.40) CYP3A4RAB9ANPC1ALDH1A1LMNA
SCHEMBL20217623 0.75 HPGD (0.45) RAB9AKLKB1NPC1LMNAHPGD
SCHEMBL20217365 0.74 RXFP1 (0.44) CYP3A4TTKAURKBINCENPALDH1A1
SCHEMBL20217515 0.71 ALDH1A1 (0.39) HSP90AA1HSP90AB1KLKB1ALDH1A1LMNA
SCHEMBL20217434 0.70 RAB9A (0.40) RAB9ANPC1ALDH1A1LMNAHPGD

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