SCHEMBL10270004

SCHEMBL10270004

Nc1ccc(NCCNc2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)cc3nccn23)nc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 1/20 0.35
PRKAG1 P54619 1/20 0.35
PRKAA2 P54646 1/20 0.35
PRKAA1 Q13131 1/20 0.35
PRKAG3 Q9UGI9 1/20 0.35
PRKAG2 Q9UGJ0 1/20 0.35
PRKAB1 Q9Y478 1/20 0.35
PTGS1 P23219 3/20 0.34
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
METAP1 P53582 1/20 0.33
PIK3R1 P27986 1/20 0.32
TRPV3 Q8NET8 2/20 0.32
CYP1A2 P05177 1/20 0.32
TSHR P16473 1/20 0.32
MAP4K2 Q12851 1/20 0.31
PDE2A O00408 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
ACP1 P24666 1/20 0.30

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
SCHEMBL10269941 0.90 METAP1 (0.35) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL12680515 0.87 GSK3B (0.37) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL10270161 0.85 PTGS1 (0.34) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL10270176 0.85 SYK (0.41) PTGS1MAP4K2KCNH2
SCHEMBL12681532 0.84 BTK (0.32) CYP1A2TSHRMAP4K2BTK
SCHEMBL12680609 0.82 GSK3B (0.40) CYP1A2TSHRNPC1RAB9ABTK
SCHEMBL14079524 0.81 MAPK9 (0.34) CYP1A2MAP4K2NPC1RAB9A
SCHEMBL10270540 0.80 MAP4K2 (0.40) MAP4K2NPC1RAB9ABTK
SCHEMBL3606982 0.79 METAP1 (0.40) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL10270541 0.79 MAP4K2 (0.38) CYP1A2TSHRMAP4K2BTK

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-2137188-B1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES Bayer Pharma AG (DE) 2012-06-06 EP disclosed