SCHEMBL9987597

SCHEMBL9987597

COCC(c1cc2[nH]cc(-c3cc4cc(F)cnc4[nH]3)c2nc1C(COC)N1CCOCC1)N1CCOCC1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.35
VCP P55072 1/20 0.31
EGFR P00533 1/20 0.30
TDO2 P48775 1/20 0.30

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
SCHEMBL9987774 0.86 EGFR (0.35) LRRK2EGFR
SCHEMBL9987804 0.81 CDK9 (0.35) EGFR
SCHEMBL9987599 0.66 PIK3CA (0.33) LRRK2VCP
SCHEMBL2991422 0.64 CDK9 (0.39)
SCHEMBL1748831 0.62 IGF1R (0.46) EGFR
SCHEMBL1748861 0.54 IGF1R (0.67) LRRK2
SCHEMBL2984674 0.54 EGFR (0.39) EGFR
SCHEMBL18952058 0.52 CCNB2 (0.54)
SCHEMBL20004718 0.52 SNCA (0.60)
SCHEMBL26912470 0.52 PRKDC (0.47) TDO2

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-1799691-B1 NOVEL BIS-AZAINDOLE DERIVATIVES, PREPARATION AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS AVENTIS PHARMA SA (FR) 2011-12-21 EP claimed