SCHEMBL13893937

SCHEMBL13893937

CN1CCN(C(=O)Cc2cccc(-c3cc(Nc4ccc(C(=O)NCCO)cn4)c(=O)[nH]n3)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 8/20 0.48
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
PARP1 P09874 1/20 0.38
TYK2 P29597 3/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
JAK3 P52333 1/20 0.37
CHRM3 P20309 1/20 0.36
SYK P43405 1/20 0.36
HTR2C P28335 1/20 0.35
MCHR1 Q99705 1/20 0.35
MAPT P10636 1/20 0.35
GABRA5 P31644 1/20 0.35
ROCK1 Q13464 1/20 0.35
BTK Q06187 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 0.93 PRKD1 (0.41) PRKD1KDM4ELMNAPOLBPARP1
SCHEMBL13893896 0.91 MAPT (0.41) PRKD1KDM4ELMNAPOLBPARP1
SCHEMBL13893898 0.90 NAMPT (0.44) PRKD1KDM4ELMNAPOLBTYK2
SCHEMBL13893895 0.84 KDM4E (0.41) PRKD1KDM4ELMNAPOLBTYK2
SCHEMBL13893934 0.84 KDM4E (0.47) PRKD1KDM4ELMNAPOLBPARP1
SCHEMBL13894014 0.80 BTK (0.46) PRKD1KDM4ELMNAPOLBTYK2
SCHEMBL13893946 0.80 KDM4E (0.38) PRKD1KDM4ELMNAPOLBTYK2
SCHEMBL13893942 0.77 ROCK1 (0.43) PARP1TYK2ROCK1
SCHEMBL12602921 0.73 BTK (0.53) KDM4ETYK2BTK
SCHEMBL13893953 0.72 NR1H4 (0.39) PRKD1KDM4ELMNAPOLBPARP1

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