SCHEMBL7315692

SCHEMBL7315692

COc1cnccc1-c1nc(N)c2c(Cc3cccnc3)nn(C(C)(C)C)c2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 6/20 0.40
AKT1 P31749 1/20 0.40
FYN P06241 2/20 0.36
RIPK2 O43353 1/20 0.36
PRKD3 O94806 1/20 0.36
ABL1 P00519 1/20 0.36
PRKACA P17612 1/20 0.36
CDK2 P24941 1/20 0.36
CSK P41240 1/20 0.36
MAPK8 P45983 1/20 0.36
CSNK1A1 P48729 1/20 0.36
CSNK1E P49674 1/20 0.36
PRKD1 Q15139 1/20 0.36
MAPK14 Q16539 1/20 0.36
PRKD2 Q9BZL6 1/20 0.36
CDK12 Q9NYV4 1/20 0.36
CAMK2A Q9UQM7 1/20 0.36
HPGD P15428 1/20 0.36
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 2/20 0.35

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
SCHEMBL7315674 0.85 SRC (0.39) SRCAKT1FYNRIPK2PRKD3
SCHEMBL7312284 0.75 HPGD (0.49) SRCAKT1FYNRIPK2PRKD3
SCHEMBL13063870 0.75 SRC (0.67) SRCAKT1FYNRIPK2PRKD3
SCHEMBL7320063 0.70 EGFR (0.39) SRCABL1ALDH1A1HSD17B10PRKCI
SCHEMBL13063872 0.63 SRC (0.66) SRCAKT1FYNRIPK2PRKD3
SCHEMBL7319854 0.63 RIPK2 (0.45) SRCRIPK2CYP1A2CYP3A4
SCHEMBL13019709 0.62 SRC (0.73) SRCAKT1FYNRIPK2PRKD3
SCHEMBL3785884 0.62 SRC (0.74) SRCAKT1FYNRIPK2PRKD3
SCHEMBL1960756 0.61 SRC (0.69) SRCAKT1FYNRIPK2PRKD3
SCHEMBL1961935 0.61 SRC (0.62) SRCAKT1FYNRIPK2PRKD3

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
US-5541187-A HYPOTENSIVE AGENTS STERLING WINTHROP INC. (US) 1996-07-30 US disclosed
US-5294612-A Hypotensive agents and cardiovascular disorders STERLING WINTHROP INC. (US) 1994-03-15 US disclosed