SCHEMBL17423539

SCHEMBL17423539

O=c1[nH]nc(-c2ccc(Oc3ccccc3)cc2)c2cc[nH]c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GSK3A P49840 2/20 0.44
GSK3B P49841 2/20 0.44
BRD4 O60885 2/20 0.44
ERBB2 P04626 1/20 0.42
DYRK1A Q13627 1/20 0.41
GSTP1 P09211 1/20 0.41
LTA4H P09960 2/20 0.40
NPC1 O15118 2/20 0.40
SCN4A P35499 1/20 0.40
RAB9A P51151 1/20 0.40
ROCK2 O75116 2/20 0.39
ROCK1 Q13464 2/20 0.39
MAPK1 P28482 1/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
DRD1 P21728 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL25226425 0.69 CCR8 (0.42) GSK3AGSK3BDYRK1AALDH1A1BTK
SCHEMBL16432224 0.69 ERBB2 (0.46) ERBB2DYRK1ALTA4HNPC1SCN4A
SCHEMBL3530057 0.68 NR4A2 (0.48) BRD4ERBB2GSTP1LTA4HNPC1
SCHEMBL22710397 0.67 ERBB2 (0.48) ERBB2GSTP1LTA4HNPC1SCN4A
SCHEMBL18741409 0.67 PDE3B (0.43) ERBB2GSTP1LTA4HNPC1SCN4A
SCHEMBL24728843 0.67 CHEK1 (0.44) GSK3BDYRK1APRMT5WDR77KDM4E
SCHEMBL30719652 0.66 ATM (0.67) ATMNPSR1GSK3AGSK3BDYRK1A
SCHEMBL13923950 0.66 KDR (0.59) DYRK1ANPC1RAB9AKDM4EALDH1A1
SCHEMBL710318 0.66 ATM (0.67) ATMNPSR1GSK3AGSK3BDYRK1A
SCHEMBL13946607 0.66 XDH (0.45) ERBB2GSTP1LTA4HNPC1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3166608-A1 AMINOPYRIDAZINONE COMPOUNDS AS PROTEIN KINASE INHIBITORS Eternity Bioscience Inc. (US) 2017-05-17 EP disclosed
WO-2016007185-A1 AMINOPYRIDAZINONE COMPOUNDS AS PROTEIN KINASE INHIBITORS Eternity Bioscience Inc. (US) 2016-01-14 WO disclosed