Isopropylamine

Isopropylamine

SCHEMBL4827262

CC(C)N.CS(=O)(=O)N1CCC(c2[nH]nc(-c3ccc(F)cc3)c2-c2nc(C(=O)O)cs2)CC1

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 16/20 0.49
MAPK14 Q16539 16/20 0.49
KCNH2 Q12809 1/20 0.47
ENPP2 Q13822 2/20 0.37
MAPK1 P28482 1/20 0.36
PTGER1 P34995 1/20 0.35

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
SCHEMBL6004439 0.88 MAPK11 (0.49) MAPK11MAPK14KCNH2ENPP2MAPK1
Isopropylamine SCHEMBL4890140 0.87 MAPK11 (0.53) MAPK11MAPK14KCNH2PTGER1
SCHEMBL3373577 0.81 MAPK11 (0.59) MAPK11MAPK14KCNH2PTGER1
SCHEMBL6004425 0.81 MAPK11 (0.56) MAPK11MAPK14KCNH2
SCHEMBL4761505 0.80 MAPK11 (0.52) MAPK11MAPK14KCNH2ENPP2
Isopropylamine SCHEMBL4924703 0.78 MAPK11 (0.42) MAPK11MAPK14KCNH2PTGER1
SCHEMBL4824475 0.78 MAPK11 (0.51) MAPK11MAPK14KCNH2
SCHEMBL4827940 0.76 MAPK11 (0.61) MAPK11MAPK14KCNH2MAPK1
SCHEMBL5256660 0.76 MAPK11 (0.81) MAPK11MAPK14KCNH2
SCHEMBL6003913 0.75 MAPK11 (0.53) MAPK11MAPK14KCNH2MAPK1

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
EP-1871770-A1 ORTHO-TERPHENYL INHIBITORS OF P38 KINASE AND METHODS OF TREATING INFLAMMATORY DISORDERS Kalypsys, Inc. (US) 2008-01-02 EP disclosed
WO-2006116355-A1 ORTHO-TERPHENYL INHIBITORS OF P38 KINASE AND METHODS OF TREATING INFLAMMATORY DISORDERS KALYPSYS, INC. (US) 2006-11-02 WO disclosed