SCHEMBL17530799

SCHEMBL17530799

Cc1cc2cc(C(C)Nc3ncnc(N)n3)c(N3CCC(C(N)=O)CC3)nc2cc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 6/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37
MAPK10 P53779 1/20 0.37
MAPK14 Q16539 1/20 0.37
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MAPT P10636 1/20 0.35
AKT2 P31751 1/20 0.35
RPS6KB1 P23443 2/20 0.34
AKT1 P31749 2/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
NEK2 P51955 1/20 0.34
HSD17B10 Q99714 1/20 0.33
ITGB2 P05107 1/20 0.33
ICAM1 P05362 1/20 0.33

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
SCHEMBL17530782 0.89 OPRK1 (0.40) OPRK1KDM4EALDH1A1TDP1MAPK8
SCHEMBL17530810 0.85 AKT1 (0.45) OPRK1AKT1ITGB2ICAM1ITGAL
SCHEMBL17530784 0.84 CDK2 (0.35) OPRK1AKT1
SCHEMBL715482 0.84 OPRK1 (0.39) OPRK1KDM4EALDH1A1TDP1MAPK8
SCHEMBL715483 0.84 OPRK1 (0.39) OPRK1KDM4EALDH1A1TDP1MAPK8
SCHEMBL15899981 0.81 GPR6 (0.39) OPRK1LMNATP53
SCHEMBL15327057 0.81 STAT3 (0.42) OPRK1NPC1RAB9AMAPTLMNA
SCHEMBL17530857 0.80 IDH1 (0.34) OPRK1
SCHEMBL715809 0.76 KRAS (0.40) OPRK1
SCHEMBL17530769 0.75 MAPT (0.45) OPRK1KDM4EALDH1A1MAPTLMNA

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-2403847-B1 TRIAZINE DERIVATIVES AS KINASE INHIBITORS UCB BIOPHARMA SPRL (BE) 2016-03-02 EP claimed