SCHEMBL8836698

SCHEMBL8836698

Cc1cnccc1-c1c(-c2ccc(F)cc2)n[nH]c1N

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 10/20 0.51
▸ MAPK11 Q15759 5/20 0.51
▸ MAPK13 O15264 2/20 0.51
▸ GCGR P47871 2/20 0.51
▸ MAPK12 P53778 2/20 0.51
▸ ALOX5 P09917 1/20 0.47
▸ CYP17A1 P05093 2/20 0.41
▸ WNT1 P04628 1/20 0.41
▸ KCNH2 Q12809 1/20 0.39
▸ CCNE2 O96020 1/20 0.39
▸ CDK4 P11802 1/20 0.39
▸ CCND1 P24385 1/20 0.39
▸ CCNE1 P24864 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ SRC P12931 1/20 0.38
▸ BRAF P15056 1/20 0.38
▸ KDR P35968 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
SCHEMBL6177789 0.79 MAPK14 (0.59) MAPK14MAPK11MAPK13GCGRMAPK12
SCHEMBL7491106 0.79 MAPK14 (0.59) MAPK14MAPK11MAPK13GCGRMAPK12
SCHEMBL8836352 0.77 KDM4E (0.50) MAPK14MAPK11
SCHEMBL23557736 0.75 MAPK14 (0.52) MAPK14MAPK11MAPK13GCGRMAPK12
SCHEMBL25219016 0.74 CCNC (0.42) MAPK14MAPK11MAPK13GCGRMAPK12
SCHEMBL8836207 0.74 MAPK14 (0.59) MAPK14MAPK11MAPK13GCGRMAPK12
SCHEMBL5454909 0.74 MAPK14 (0.51) MAPK14MAPK11MAPK13GCGRMAPK12
SCHEMBL20075104 0.72 ALDH1A1 (0.45) MAPK14KDR
SCHEMBL1554749 0.70 MAPK14 (0.56) MAPK14MAPK11MAPK13GCGRMAPK12
SCHEMBL8836677 0.70 TGFBR1 (0.49) MAPK14

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5624931-A Pyrazole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-04-29 — — US disclosed
US-5478827-A Inhibits Interleukin-1 and tumor necrosis factor production FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-12-26 — — US disclosed
US-5356897-A Inhibit the production of Interleukin-1 and tumor necrosis factor; administering for treatment of chronic inflammatory diseases, autoimmune diseases and sepsis-induced organ injury FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-10-18 — — US disclosed
CN-1075965-A New Hete rocyclic derivatives FUJISAWA PHARMACEUTICAL CO (JP) 1993-09-08 — — CN disclosed
CN-1070404-A New Hete rocyclic derivatives FUJISAWA PHARMACEUTICAL CO (JP) 1993-03-31 — — CN disclosed
EP-0531901-A2 Condensed pyrazole derivatives with interleukin-1 and tumour necrosis factor inhibitory activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-03-17 — — EP disclosed
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