SCHEMBL9960089

SCHEMBL9960089

Cn1cncc1C(c1ccc(Cl)cc1)c1c(-c2cccc(Cl)c2)c2c(N)cccc2n(C)c1=O

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FNTA P49354 13/20 0.57
FNTB P49356 13/20 0.57
PGGT1B P53609 6/20 0.40
IDO1 P14902 1/20 0.39

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
SCHEMBL1198369 0.86 FNTA (0.62) FNTAFNTBPGGT1BIDO1
SCHEMBL168438 0.86 FNTA (0.62) FNTAFNTBPGGT1BIDO1
SCHEMBL7607330 0.77 FNTA (0.38) FNTAFNTBPGGT1B
SCHEMBL13186537 0.73 FNTA (1.00) FNTAFNTB
SCHEMBL5733786 0.73 FNTA (1.00) FNTAFNTB
SCHEMBL3436599 0.71 FNTA (0.81) FNTAFNTB
SCHEMBL5514757 0.69 FNTA (0.80) FNTAFNTBPGGT1BIDO1
SCHEMBL5225577 0.69 FNTA (0.58) FNTAFNTBPGGT1BIDO1
SCHEMBL5221738 0.69 FNTA (0.58) FNTAFNTBPGGT1BIDO1
SCHEMBL4382960 0.67 FNTA (0.52) FNTAFNTBPGGT1BIDO1

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-2654748-A1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-10-30 EP disclosed
WO-2012087772-A1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS SCHERING CORPORATION (US) 2012-06-28 WO disclosed