SCHEMBL10885012

SCHEMBL10885012

Clc1ccc(-c2nnc3cnc4ccc(Cl)cc4n23)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 9/20 0.51
ATR Q13535 9/20 0.51
ATRIP Q8WXE1 9/20 0.51
PIK3CB P42338 8/20 0.51
ATM Q13315 7/20 0.51
ADORA3 P0DMS8 1/20 0.46
ADORA1 P30542 1/20 0.46
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
SERPINA2 P20848 4/20 0.43
MTOR P42345 4/20 0.43
PDE2A O00408 3/20 0.42
PDE10A Q9Y233 3/20 0.42
CYP3A4 P08684 1/20 0.41
HSD11B1 P28845 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
SCHEMBL9036533 0.75 ABL1 (0.44) PRKDCATRATRIPPIK3CBATM
SCHEMBL807975 0.72 PRKDC (0.44) PRKDCATRATRIPPIK3CBATM
SCHEMBL807973 0.72 ATM (0.41) PRKDCATRATRIPPIK3CBATM
SCHEMBL31612377 0.70 ADORA3 (0.41) PRKDCATRATRIPPIK3CBATM
SCHEMBL15131806 0.70 PIK3CB (0.47) PRKDCATRATRIPPIK3CBATM
SCHEMBL11868935 0.68 ADORA3 (0.56) PRKDCATRATRIPPIK3CBATM
SCHEMBL5362675 0.68 ADORA3 (0.43) PRKDCATRATRIPPIK3CBATM
SCHEMBL9081820 0.67 MAPT (0.37) PRKDCATRATRIPPIK3CBATM
SCHEMBL10844794 0.66 TYMS (0.74) KDM4ERAB9APDE2APDE10A
SCHEMBL1599017 0.66 TYMS (0.39) PRKDCATRATRIPPIK3CBATM

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-0107455-B1 TRIAZOLOQUINOXALINES AS ANTIDEPRESSANTS AND ANTIFATIGUE AGENTS PFIZER INC. (US) 1986-07-09 EP disclosed