SCHEMBL8524328

SCHEMBL8524328

CN1CCC(n2c(-c3ccncn3)nc(-c3ccc(F)cc3)c2Nc2cccc(Br)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.44
MAPK11 Q15759 1/20 0.37
MAP4K4 O95819 1/20 0.37
EGFR P00533 1/20 0.37
FRK P42685 1/20 0.37
MAPK9 P45984 1/20 0.37
CSNK1A1 P48729 1/20 0.37
KCNH2 Q12809 1/20 0.36

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
SCHEMBL6975496 0.79 MAPK14 (0.43) MAPK14MAPK11MAP4K4EGFRFRK
SCHEMBL8524327 0.73 MAPK14 (0.59) MAPK14EGFR
SCHEMBL4593693 0.73 MAPK14 (0.81) MAPK14
SCHEMBL4584430 0.70 MAPK14 (0.51) MAPK14MAPK11EGFRCSNK1A1KCNH2
SCHEMBL4601390 0.64 MAPK14 (0.43) MAPK14MAPK11MAP4K4EGFRFRK
SCHEMBL1639908 0.64 MAPK14 (0.50) MAPK14MAPK11MAP4K4MAPK9CSNK1A1
SCHEMBL4835277 0.63
SCHEMBL6962991 0.62 MAPK14 (0.64) MAPK14
SCHEMBL1640808 0.62 CSNK1D (0.45) MAPK14MAP4K4EGFRFRKMAPK9
SCHEMBL8418263 0.62 MAPK14 (0.53) MAPK14MAPK11MAP4K4MAPK9CSNK1A1

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-5869660-A Process of preparing imidazole compounds SMITHKLINE BEECHAM CORPORATION (US) 1999-02-09 US disclosed
US-5739143-A Imidazole compounds and compositions SMITHKLINE BEECHAM CORPORATION (US) 1998-04-14 US disclosed