SCHEMBL14098982

SCHEMBL14098982

Cc1ccc2c(-c3ccc(N4CCOCC4)nc3)n[nH]c2c1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 10/20 0.55
▸ PLK4 O00444 1/20 0.55
▸ FLT3 P36888 1/20 0.55
▸ KDR P35968 1/20 0.53
▸ ETV6 P41212 1/20 0.53
▸ MAPK1 P28482 3/20 0.53
▸ TDO2 P48775 1/20 0.51
▸ CNR2 P34972 3/20 0.48
▸ ACVR1 Q04771 1/20 0.46

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
SCHEMBL19928117 0.87 PLK4 (0.58) LRRK2PLK4FLT3KDRETV6
SCHEMBL4222794 0.86 LRRK2 (0.51) LRRK2PLK4FLT3KDRETV6
SCHEMBL16025551 0.84 LRRK2 (0.73) LRRK2
SCHEMBL3710632 0.83 TTK (0.52) LRRK2PLK4FLT3KDRETV6
SCHEMBL29602504 0.83 LRRK2 (0.68) LRRK2KDRETV6MAPK1TDO2
SCHEMBL12795343 0.82 PLK4 (0.51) LRRK2PLK4FLT3KDRETV6
SCHEMBL12864090 0.77 CNR2 (0.62) CNR2
SCHEMBL6506307 0.76 LRRK2 (0.53) LRRK2PLK4FLT3KDRETV6
SCHEMBL31613742 0.76 MAPK1 (0.50) LRRK2PLK4FLT3KDRETV6
SCHEMBL14863607 0.76 KDR (0.57) LRRK2KDRETV6MAPK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1708996-B1 FUSED HETEROYRAL DERIVATIVES FOR USE AS P38 KINASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2008-08-27 — — EP disclosed
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