SCHEMBL27555288

SCHEMBL27555288

O=C(O)N1CCN(C(=O)c2n[nH]c(-c3ccc(F)cc3)c2-c2ccncc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 11/20 0.50
▸ MAPK11 Q15759 4/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ TSHR P16473 1/20 0.41
▸ HTR2A P28223 2/20 0.40
▸ MAPK13 O15264 2/20 0.39
▸ MAPK12 P53778 2/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ TLR8 Q9NR97 1/20 0.39
▸ TLR7 Q9NYK1 1/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ BCR P11274 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ GAA P10253 1/20 0.39

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
SCHEMBL5255779 0.89 MAPK14 (0.53) MAPK14MAPK11KCNH2SMN1; SMN2
Water SCHEMBL27580370 0.88 MAPK14 (0.53) MAPK14MAPK11KCNH2SMN1; SMN2MAPK13
Trifluoroacetic Acid SCHEMBL5260636 0.86 MAPK14 (0.49) MAPK14MAPK11KCNH2SMN1; SMN2
SCHEMBL5255770 0.85 MAPK14 (0.45) MAPK14MAPK11KCNH2SMN1; SMN2TLR8
SCHEMBL5255490 0.81 MAPK14 (0.61) MAPK14MAPK11MAPK13MAPK12
Water SCHEMBL5256024 0.80 MAPK14 (0.59) MAPK14MAPK11MAPK13MAPK12
Water SCHEMBL27580378 0.79 MAPK14 (0.52) MAPK14MAPK11KCNH2MAPK13MAPK12
SCHEMBL7854801 0.74 MAPK14 (0.55) MAPK14MAPK11KCNH2SMN1; SMN2MAPK13
SCHEMBL27555289 0.73 MAPK14 (0.56) MAPK14MAPK11SMN1; SMN2TSHRMAPK13
Water SCHEMBL27580375 0.72 MAPK14 (0.70) MAPK14MAPK11MAPK13MAPK12

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
CN-1342157-A Substituted pyrazoles ASP38 kinase inhibitors SEARLE & CO (US) 2002-03-27 — — CN disclosed
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