SCHEMBL901582

SCHEMBL901582

Nc1ccc(F)c(-c2ccncc2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 3/20 0.57
ADORA2A P29274 4/20 0.45
MAPK14 Q16539 10/20 0.44
MAPK13 O15264 5/20 0.44
MAPK12 P53778 5/20 0.44
MAPK11 Q15759 5/20 0.44
MAPK10 P53779 1/20 0.42
GCGR P47871 2/20 0.40
ALOX5 P09917 1/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
ADORA1 P30542 2/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
FRK P42685 1/20 0.38
MAPK9 P45984 1/20 0.38
CSNK1A1 P48729 1/20 0.38
CSNK1D P48730 1/20 0.38
GSK3B P49841 1/20 0.38
PTK6 Q13882 1/20 0.38

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
SCHEMBL18039087 0.78 ADORA2B (0.58) ADORA2BADORA2AMAPK14MAPK13MAPK12
SCHEMBL18039107 0.78 ADORA2B (0.68) ADORA2BADORA2AMAPK14MAPK13MAPK12
SCHEMBL10981717 0.77 ALOX5 (0.42) ADORA2BMAPK14ALOX5MAPTCSNK1D
SCHEMBL18652678 0.76 MAPK14 (0.46) MAPK14MAPK13MAPK12MAPK11MAPK10
SCHEMBL19837870 0.76 ADORA2B (0.49) ADORA2BADORA2AMAPK14MAPK13MAPK12
SCHEMBL1225544 0.76 ADORA2B (0.49) ADORA2BADORA2AMAPK14MAPK13MAPK12
SCHEMBL30969923 0.74 EGLN2 (0.40) ADORA2AMAPK14MAPK13MAPK12MAPK11
SCHEMBL18076787 0.74 EGLN2 (0.40) ADORA2AMAPK14MAPK13MAPK12MAPK11
SCHEMBL31517665 0.71 MAPK14 (0.53) ADORA2BMAPK14MAPK13MAPK12MAPK11
SCHEMBL19376952 0.71 ADORA2A (0.53) ADORA2BADORA2AMAPK14MAPK13MAPK12

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
WO-2012041476-A1 PYRIDINE AND ISOQUINOLINE DERIVATIVES AS SYK- AND JAK-KINASE INHIBITORS ALMIRALL, S.A. (ES) 2012-04-05 WO disclosed
US-4497816-A 7-(4-Pyridyl)-1,8-naphthyridine derivatives and their antibacterial compositions DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1985-02-05 US disclosed