SCHEMBL20217432

SCHEMBL20217432

N=C(c1ccc(N2CC(C3COC3)C2)cc1)c1cc(C(=O)NCc2ccccn2)ccc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
L3MBTL1 Q9Y468 4/20 0.46
RAB9A P51151 3/20 0.43
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 1/20 0.42
KDM4E B2RXH2 4/20 0.42
ROCK2 O75116 1/20 0.42
LMNA P02545 2/20 0.41
NPC1 O15118 2/20 0.41
POLB P06746 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CA2 P00918 1/20 0.41
HTT P42858 1/20 0.41
NAMPT P43490 2/20 0.41
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 2/20 0.40
MAPK14 Q16539 1/20 0.40
MAPT P10636 2/20 0.40

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
SCHEMBL20217777 0.88 KMT2A (0.49) KMT2AL3MBTL1RAB9AALDH1A1MAPK1
SCHEMBL20217644 0.88 KMT2A (0.45) KMT2AL3MBTL1RAB9AALDH1A1MAPK1
SCHEMBL20217630 0.86 RAB9A (0.45) KMT2AL3MBTL1RAB9AALDH1A1MAPK1
SCHEMBL20217627 0.84 MAPK1 (0.42) ALDH1A1MAPK1KDM4EROCK2LMNA
SCHEMBL20217401 0.81 KDM4E (0.44) KMT2AL3MBTL1RAB9AALDH1A1MAPK1
SCHEMBL20217816 0.80 RAB9A (0.44) KMT2AL3MBTL1RAB9AALDH1A1MAPK1
SCHEMBL20217804 0.80 RAB9A (0.43) KMT2AL3MBTL1RAB9AALDH1A1MAPK1
SCHEMBL20217331 0.78 KDM4E (0.39) KMT2AL3MBTL1MAPK1KDM4ELMNA
SCHEMBL20217601 0.78 CYP3A4 (0.41) KMT2AALDH1A1MAPK1CYP3A4MEN1
SCHEMBL20217329 0.77 CYP3A4 (0.52) KMT2AL3MBTL1RAB9AMAPK1KDM4E

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