SCHEMBL7363341

SCHEMBL7363341

CCc1nc(NCCc2ccccn2)c(=O)n(CC(=O)O)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 16/20 0.47
PRSS1 P07477 1/20 0.45
MAOB P27338 1/20 0.41
PGK1 P00558 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
JAK3 P52333 1/20 0.40

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
SCHEMBL7016783 0.89 F2 (0.49) F2PRSS1MAOBPGK1KDM4E
SCHEMBL7159962 0.78 F2 (0.70) F2PRSS1
SCHEMBL7365127 0.73 PGK1 (0.41) F2MAOBPGK1KDM4EALDH1A1
SCHEMBL7364554 0.71 F2 (0.57) F2PRSS1
SCHEMBL3261238 0.70 F7 (0.49) F2KDM4EALDH1A1
SCHEMBL3242830 0.69 F2 (0.66) F2PRSS1
SCHEMBL7015258 0.69 F2 (0.44) F2PRSS1PGK1KDM4EALDH1A1
SCHEMBL7158554 0.69 F2 (0.63) F2PRSS1
SCHEMBL5481633 0.68 F2 (0.52) F2PRSS1MAOB
SCHEMBL5477413 0.67 F2 (0.53) F2PRSS1

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-1259506-A1 PYRAZINONE THROMBIN INHIBITORS Merck & Co., Inc. (US) 2002-11-27 EP disclosed
WO-2001038323-A1 PYRAZINONE THROMBIN INHIBITORS MERCK & CO., INC. (US) 2001-05-31 WO disclosed