SCHEMBL7741806

SCHEMBL7741806

Clc1ccc(-c2[nH]nc(CN3CCNCC3)c2-c2ccncc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LSS P48449 3/20 0.52
MAPK11 Q15759 15/20 0.52
MAPK14 Q16539 15/20 0.52
MAPK13 O15264 11/20 0.52
MAPK12 P53778 11/20 0.52
HTR1A P08908 1/20 0.41
HTR2A P28223 1/20 0.41
HTR7 P34969 1/20 0.41
HTR2B P41595 1/20 0.41
HTR3A P46098 1/20 0.41
HTR5A P47898 1/20 0.41
HTR6 P50406 1/20 0.41
TACR3 P29371 1/20 0.40

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
SCHEMBL5450002 0.88 MAPK11 (0.53) LSSMAPK11MAPK14MAPK13MAPK12
SCHEMBL5258115 0.88 MAPK14 (0.52) MAPK11MAPK14MAPK13MAPK12HTR1A
SCHEMBL5447921 0.88 MAPK11 (0.67) LSSMAPK11MAPK14MAPK13MAPK12
Water SCHEMBL6221859 0.87 MAPK11 (0.52) LSSMAPK11MAPK14MAPK13MAPK12
SCHEMBL5446579 0.85 MAPK11 (0.67) LSSMAPK11MAPK14MAPK13MAPK12
SCHEMBL14519687 0.80 MAPK11 (0.54) LSSMAPK11MAPK14MAPK13MAPK12
SCHEMBL5255649 0.79 MAPK11 (0.76) LSSMAPK11MAPK14MAPK13MAPK12
Hydrochloric Acid SCHEMBL5259493 0.78 MAPK11 (0.74) LSSMAPK11MAPK14MAPK13MAPK12
SCHEMBL5452540 0.78 MAPK11 (0.66) LSSMAPK11MAPK14MAPK13MAPK12
SCHEMBL5448062 0.77 MAPK14 (0.50) MAPK11MAPK14MAPK13MAPK12HTR1A

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
US-6423713-B1 Substituted pyrazoles as p38 kinase inhibitors G. D. SEARLE & COMPANY 2002-07-23 US disclosed
CN-1342157-A Substituted pyrazoles ASP38 kinase inhibitors SEARLE & CO (US) 2002-03-27 CN disclosed