SCHEMBL8524327

SCHEMBL8524327

CN1CCC(n2cc(-c3ccc(F)cc3)nc2-c2ccnc(Nc3cccc(Br)c3)n2)CC1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.59
PIK3CG P48736 3/20 0.48
PIK3CA P42336 2/20 0.48
CCNA2 P20248 1/20 0.47
CDK2 P24941 1/20 0.47
CCNA1 P78396 1/20 0.47
BRD4 O60885 2/20 0.46
BRDT Q58F21 2/20 0.46
BRD2 P25440 1/20 0.46
BRD3 Q15059 1/20 0.46
PIK3CB P42338 1/20 0.45
AIMP2 Q13155 1/20 0.44
LDLR P01130 1/20 0.43
KIT P10721 1/20 0.43
PCSK9 Q8NBP7 1/20 0.43
EGFR P00533 1/20 0.42

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
SCHEMBL4593693 0.86 MAPK14 (0.81) MAPK14BRD4BRDTBRD2BRD3
SCHEMBL4584430 0.78 MAPK14 (0.51) MAPK14PIK3CGPIK3CACCNA2CDK2
SCHEMBL8483981 0.78 MAPK14 (0.73) MAPK14PIK3CGPIK3CABRD4BRDT
SCHEMBL8485273 0.77 MAPK14 (0.59) MAPK14PIK3CGPIK3CABRD4BRDT
SCHEMBL6962991 0.77 MAPK14 (0.64) MAPK14BRD4BRDTBRD2BRD3
SCHEMBL6957344 0.74 MAPK14 (1.00) MAPK14BRD4BRDTBRD2BRD3
SCHEMBL8524328 0.73 MAPK14 (0.44) MAPK14EGFR
SCHEMBL8019885 0.69 PIK3CG (0.52) MAPK14PIK3CGPIK3CACDK2PIK3CB
SCHEMBL27441160 0.67 MAPK14 (1.00) MAPK14BRD4BRDTBRD2BRD3
SCHEMBL8860318 0.66 MAPK14 (0.49) MAPK14

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