SCHEMBL5321014

SCHEMBL5321014

Cc1cc(OC2CCN(C(=O)c3cc(NC(=O)C(=O)N(C)C)ccc3Cl)CC2)ncc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNK O75909 2/20 0.39
CDK12 Q9NYV4 2/20 0.39
NAMPT P43490 5/20 0.38
KMT2A Q03164 1/20 0.37
MAPK7 Q13164 1/20 0.37
GRIN2D O15399 2/20 0.37
GRIN3B O60391 2/20 0.37
GRIN1 Q05586 2/20 0.37
GRIN2A Q12879 2/20 0.37
GRIN2B Q13224 2/20 0.37
GRIN2C Q14957 2/20 0.37
GRIN3A Q8TCU5 2/20 0.37
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36
GPR6 P46095 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
PRKAA2 P54646 1/20 0.36

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
SCHEMBL14466998 0.90 NAMPT (0.41) NAMPTMAPK7GRIN2DGRIN3BGRIN1
SCHEMBL14466907 0.89 MMP1 (0.43) CCNKCDK12NAMPTKMT2AMAPK7
SCHEMBL14466999 0.88 HCRTR1 (0.39) CCNKCDK12KMT2AGRIN2DGRIN3B
SCHEMBL14466904 0.87 MAPK7 (0.45) NAMPTMAPK7GPR6PRKAA2
SCHEMBL14467002 0.85 EPHX2 (0.43) NAMPTKMT2A
SCHEMBL14467006 0.84 KMT2A (0.39) KMT2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL14466997 0.83 KMT2A (0.39) KMT2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL14466898 0.82 GRIN2D (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL14466893 0.82 HRH1 (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5339408 0.82 HRH1 (0.47) NAMPTKMT2AGRIN2DGRIN3BGRIN1

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
WO-2007082079-A2 PIPERIDINE AMIDE DERIVATIVES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2007-07-19 WO disclosed
WO-2007082079-A2 PIPERIDINE AMIDE DERIVATIVES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2007-07-19 WO disclosed