SCHEMBL902145

SCHEMBL902145

Nc1cc(N)nc(-c2ccnc(-c3cnccn3)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 1/20 0.44
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
PI4KA P42356 1/20 0.43
PIK3CG P48736 1/20 0.43
PI4KB Q9UBF8 1/20 0.43
PIM1 P11309 4/20 0.38
PIM2 Q9P1W9 3/20 0.38
PIM3 Q86V86 1/20 0.38
DHFR P00374 1/20 0.38
ASIC3 Q9UHC3 1/20 0.37
LATS1 O95835 1/20 0.36
LATS2 Q9NRM7 1/20 0.36
HSP90AA1 P07900 2/20 0.36
MAPT P10636 1/20 0.36
HDAC3 O15379 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
ALOX5AP P20292 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
SCHEMBL20169521 0.80 PIK3CD (0.46) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL28996013 0.78 ASIC3 (0.52) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL22334571 0.77 PIK3CD (0.45) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL30252597 0.76 HSP90AA1 (0.44) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL20911220 0.76 HSP90AA1 (0.44) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL29602147 0.75 DYRK1A (0.50) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL28684286 0.75 DYRK1A (0.50) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL19944039 0.75 ASIC3 (0.53) KARS1ASIC3MAPTABL1BCR
SCHEMBL29814953 0.75 ADORA2A (0.42) PIK3CDPIK3CAPIK3CBPIK3CGASIC3
SCHEMBL28900334 0.73 LMNA (0.44) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG

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
WO-2012041476-A1 PYRIDINE AND ISOQUINOLINE DERIVATIVES AS SYK- AND JAK-KINASE INHIBITORS ALMIRALL, S.A. (ES) 2012-04-05 WO disclosed