SCHEMBL2496016

SCHEMBL2496016

CC(C#N)c1cccc2nc[nH]c12

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.35
PAK1 Q13153 1/20 0.32
PDPK1 O15530 1/20 0.32
CA12 O43570 1/20 0.32
ALOX15 P16050 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CA9 Q16790 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32

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
SCHEMBL7727344 0.81 TAAR1 (0.40) PARP1PAK1PDPK1CA12ALOX15
SCHEMBL22559041 0.78 CYP1A2 (0.39) PARP1PAK1PDPK1CA12ALOX15
SCHEMBL14477036 0.75 TSHR (0.42) PARP1PAK1PDPK1CA12ALOX15
SCHEMBL2497541 0.74 CXCL8 (0.39) PARP1PDPK1CA12ALOX15SMN1; SMN2
SCHEMBL2496022 0.74 PARP1 (0.41) PARP1SMN1; SMN2
SCHEMBL3866726 0.73 PARP1 (0.37) PARP1PAK1PDPK1CA12ALOX15
SCHEMBL2820813 0.73 CXCL8 (0.40) PARP1PAK1PDPK1CA12ALOX15
SCHEMBL10536 0.70 DYRK1A (0.38) PARP1PDPK1CA12ALOX15SMN1; SMN2
SCHEMBL2498957 0.68 MEN1 (0.39) PARP1PDPK1CA12ALOX15SMN1; SMN2
SCHEMBL8303802 0.68 ATM (0.38) SMN1; SMN2

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
EP-2373628-A1 NOVEL COMPOUNDS Glaxo Group Limited (GB) 2011-10-12 EP disclosed
WO-2010070021-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-24 WO disclosed