SCHEMBL20217816

SCHEMBL20217816

N=C(c1ccc(C2CCN(C3COC3)CC2)cc1)c1cc(C(=O)NCc2ccccn2)ccc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.44
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 3/20 0.42
ROCK2 O75116 1/20 0.41
NAMPT P43490 5/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 1/20 0.40
KLKB1 P03952 1/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
PIK3CA P42336 1/20 0.39
MAPT P10636 1/20 0.39
GFER P55789 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CA2 P00918 1/20 0.39

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
SCHEMBL20217644 0.88 KMT2A (0.45) RAB9AKMT2AKDM4EROCK2NAMPT
SCHEMBL20217479 0.88 MAPK1 (0.43) RAB9AKMT2ANAMPTALDH1A1MAPK1
SCHEMBL20217630 0.85 RAB9A (0.45) RAB9AKMT2AKDM4EROCK2NAMPT
SCHEMBL20217777 0.82 KMT2A (0.49) RAB9AKMT2AKDM4EROCK2NAMPT
SCHEMBL20217620 0.81 KMT2A (0.40) RAB9AKMT2AKDM4EROCK2NAMPT
SCHEMBL20217432 0.80 KMT2A (0.47) RAB9AKMT2AKDM4EROCK2NAMPT
SCHEMBL20217804 0.77 RAB9A (0.43) RAB9AKMT2AKDM4EROCK2NAMPT
SCHEMBL20217401 0.75 KDM4E (0.44) RAB9AKMT2AKDM4ENAMPTALDH1A1
SCHEMBL20217667 0.75 CNR2 (0.42) RAB9AKMT2ANAMPTALDH1A1MAPK1
SCHEMBL20217438 0.74 KDM4E (0.50) RAB9AKMT2AKDM4ENAMPTALDH1A1

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