Isopropylamine

Isopropylamine

SCHEMBL4890140

CC(C)N.O=C(O)c1csc(-c2c(-c3ccc(F)cc3)n[nH]c2C2CCNCC2)n1

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 8/20 0.53
MAPK14 Q16539 8/20 0.53
KCNH2 Q12809 1/20 0.45
MAPK13 O15264 1/20 0.38
RAF1 P04049 1/20 0.38
MAPK9 P45984 1/20 0.38
MAPK12 P53778 1/20 0.38
ALDH1A1 P00352 2/20 0.37
PTGER1 P34995 2/20 0.36
PTPN1 P18031 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
LDHA P00338 1/20 0.34
ILK Q13418 1/20 0.34
DPP4 P27487 1/20 0.34

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
SCHEMBL3373577 0.94 MAPK11 (0.59) MAPK11MAPK14KCNH2MAPK13RAF1
SCHEMBL4761678 0.87 MAPK14 (0.52) MAPK11MAPK14KCNH2MAPK13RAF1
Isopropylamine SCHEMBL4827262 0.87 MAPK11 (0.49) MAPK11MAPK14KCNH2PTGER1
SCHEMBL4919415 0.85 MAPK11 (0.49) MAPK11MAPK14KCNH2MAPK13RAF1
SCHEMBL4828451 0.85 MAPK11 (0.52) MAPK11MAPK14KCNH2MAPK13RAF1
SCHEMBL4762891 0.85 MAPK11 (0.52) MAPK11MAPK14KCNH2MAPK13RAF1
SCHEMBL4761409 0.83 MAPK11 (0.52) MAPK11MAPK14KCNH2MAPK13RAF1
SCHEMBL4865422 0.83 MAPK14 (0.52) MAPK11MAPK14KCNH2MAPK13RAF1
SCHEMBL4761674 0.82 MAPK11 (0.51) MAPK11MAPK14KCNH2MAPK13RAF1
SCHEMBL4830402 0.81 MAPK11 (0.50) MAPK11MAPK14KCNH2MAPK13RAF1

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