SCHEMBL13893898

SCHEMBL13893898

O=C(NCCO)c1ccc(Nc2cc(-c3cccc(CC(=O)N4Cc5ccccc5C4)c3)n[nH]c2=O)nc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.44
PRKD1 Q15139 1/20 0.41
ROCK1 Q13464 4/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
FYN P06241 5/20 0.38
ROCK2 O75116 2/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
MAPT P10636 1/20 0.36
GABRA5 P31644 1/20 0.36
CPT2 P23786 1/20 0.35
CPT1A P50416 1/20 0.35

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
SCHEMBL13893939 0.91 PRKD1 (0.41) NAMPTPRKD1KDM4ELMNAPOLB
SCHEMBL13893937 0.90 PRKD1 (0.48) PRKD1ROCK1KDM4ELMNAPOLB
SCHEMBL13893896 0.88 MAPT (0.41) PRKD1KDM4ELMNAPOLBJAK2
SCHEMBL13893942 0.84 ROCK1 (0.43) NAMPTROCK1ROCK2TYK2
SCHEMBL13893895 0.83 KDM4E (0.41) PRKD1KDM4ELMNAPOLBFYN
SCHEMBL13893934 0.83 KDM4E (0.47) PRKD1KDM4ELMNAPOLBFYN
SCHEMBL13893946 0.79 KDM4E (0.38) PRKD1KDM4ELMNAPOLBFYN
SCHEMBL13894014 0.72 BTK (0.46) NAMPTPRKD1KDM4ELMNAPOLB
SCHEMBL13893953 0.71 NR1H4 (0.39) PRKD1KDM4ELMNAPOLBJAK2
SCHEMBL104011 0.71 BTK (0.52) KDM4ETYK2

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
WO-2009053269-A1 NOVEL KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-30 WO disclosed