SCHEMBL20217423

SCHEMBL20217423

CCCC1CC(O)CC(C)N1c1ccc(C(=N)c2cc(C(=O)NCc3ccccn3)ccc2N)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RAB9A P51151 4/20 0.39
NPC1 O15118 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 2/20 0.38
PIK3CA P42336 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
POLB P06746 2/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
NAMPT P43490 2/20 0.37
CA2 P00918 1/20 0.37
MAPK1 P28482 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGAV P06756 1/20 0.36

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
SCHEMBL20217515 0.88 ALDH1A1 (0.39) HPGDMEN1KMT2ALMNAPOLB
SCHEMBL20217804 0.84 RAB9A (0.43) KDM4ERAB9ANPC1L3MBTL1MEN1
SCHEMBL20217956 0.83 CYP3A4 (0.48) CYP3A4
SCHEMBL20217375 0.80
SCHEMBL20217630 0.78 RAB9A (0.45) KDM4EHPGDHSD17B10RAB9ANPC1
SCHEMBL20217438 0.77 KDM4E (0.50) KDM4EHPGDHSD17B10RAB9ANPC1
SCHEMBL20217662 0.77 CYP3A4 (0.47) MEN1KMT2ACYP3A4ALDH1A1MAPK1
SCHEMBL20217514 0.77
SCHEMBL20217341 0.75 CYP3A4 (0.40) HPGDRAB9ANPC1LMNACYP3A4
SCHEMBL20217432 0.75 KMT2A (0.47) KDM4EHPGDHSD17B10RAB9ANPC1

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