SCHEMBL8489264

SCHEMBL8489264

Cn1cc(-c2ccc(F)cc2)c(-c2ccccn2)n1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 14/20 0.61
CSNK1E P49674 9/20 0.61
MAPK14 Q16539 7/20 0.61
MAPK11 Q15759 4/20 0.61
MAPK13 O15264 2/20 0.61
MAPK12 P53778 2/20 0.61
MAP4K4 O95819 1/20 0.54
EGFR P00533 1/20 0.54
FRK P42685 1/20 0.54
MAPK9 P45984 1/20 0.54
CSNK1A1 P48729 1/20 0.54
KCNH2 Q12809 2/20 0.48
TGFBR1 P36897 3/20 0.48
THRB P10828 1/20 0.47
JMJD6 Q6NYC1 1/20 0.45

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
SCHEMBL7856399 0.89 MAP4K4 (0.69) CSNK1DCSNK1EMAPK14MAPK11MAPK13
SCHEMBL27907019 0.85 MAPK14 (0.56) CSNK1DCSNK1EMAPK14MAPK11MAPK13
SCHEMBL5257540 0.76 CSNK1D (1.00) CSNK1DCSNK1EMAPK14MAPK11MAPK13
SCHEMBL5698604 0.76 CSNK1D (1.00) CSNK1DCSNK1EMAPK14MAPK11MAPK13
SCHEMBL8112773 0.74 MAP4K4 (0.51) CSNK1DCSNK1EMAPK14MAPK11MAPK13
SCHEMBL5526916 0.74 MAP4K4 (0.51) CSNK1DCSNK1EMAPK14MAPK11MAPK13
SCHEMBL31039970 0.73 TGFBR1 (0.59) MAPK14TGFBR1THRB
SCHEMBL12763678 0.73 TGFBR1 (0.52) MAPK14TGFBR1THRB
SCHEMBL18579243 0.72 MAPK14 (0.62) MAPK14MAPK11MAPK13MAPK12TGFBR1
SCHEMBL3247895 0.72 TGFBR1 (0.68) CSNK1DMAPK14CSNK1A1TGFBR1THRB

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
US-5932576-A USEFUL FOR TREATING P38 KINASE MEDIATED DISORDERS SUCH AS ATHEROSCLEROSIS, RHEUMATIOD ARTHRITIS, INFLAMMATORY BOWEL DISEASE, PSORIASIS AND OTHERS G. D. SEARLE & COMPANY (US) 1999-08-03 US disclosed