SCHEMBL873223

SCHEMBL873223

O=C(Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3ccncc3)cc2)cc1)[C@@H]1CCCN1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHOC P08134 1/20 0.43
RHOA P61586 1/20 0.43
SCN3A Q9NY46 3/20 0.41
SCN9A Q15858 2/20 0.41
JAK2 O60674 2/20 0.40
PDGFRB P09619 2/20 0.40
FLT3 P36888 2/20 0.40
ROCK2 O75116 2/20 0.40
AAK1 Q2M2I8 2/20 0.40
IKBKB O14920 1/20 0.40
KIT P10721 1/20 0.40
PDGFRA P16234 1/20 0.40
FLT1 P17948 1/20 0.40
RPS6KB1 P23443 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40
JAK3 P52333 1/20 0.40
MAP3K9 P80192 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
SCHEMBL844934 0.90 RHOC (0.51) RHOCRHOAROCK2MAPTTRPV1
SCHEMBL10119294 0.89 ITGB3 (0.41) RHOCRHOASCN3ASCN9AJAK2
SCHEMBL10119551 0.82 DHODH (0.40) SCN3ASCN9AJAK2PDGFRBFLT3
SCHEMBL874324 0.82 MAPK1 (0.42) TRPV1
SCHEMBL874056 0.81 TRPV1 (0.42) RHOCRHOAMAPTTRPV1MEN1
SCHEMBL845313 0.81 ALDH1A1 (0.41) SCN3ASCN9ASCN5AMEN1KMT2A
SCHEMBL10119513 0.81 JAK2 (0.41) SCN3ASCN9AJAK2PDGFRBFLT3
SCHEMBL10119636 0.81 CYP2C9 (0.38) SCN3ASCN9AJAK2PDGFRBFLT3
SCHEMBL871771 0.81 PABPC1 (0.44) SCN3ASCN9ASCN5ANPC1MEN1
SCHEMBL874042 0.80 KMT2A (0.43) RHOCRHOAFLT3MAPTTRPV1

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
US-8143288-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-27 US disclosed