SCHEMBL2396816

SCHEMBL2396816

NC1=C(c2cccs2)C(=O)NC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 2/20 0.51
LTK P29376 1/20 0.51
MST1R Q04912 1/20 0.51
DYRK1A Q13627 1/20 0.51
CLK4 Q9HAZ1 1/20 0.51
NISCH Q9Y2I1 1/20 0.38
PARP1 P09874 2/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
HDAC3 O15379 3/20 0.36
HDAC1 Q13547 3/20 0.36
HDAC2 Q92769 3/20 0.36
GSK3B P49841 3/20 0.36
PRKCA P17252 1/20 0.36
HSD17B10 Q99714 3/20 0.36
POLB P06746 1/20 0.36
NPC1 O15118 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 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
SCHEMBL12264643 0.73 GAA (0.38) CDK5LTKMST1RDYRK1ACLK4
SCHEMBL16369828 0.71 GSK3B (0.56) CDK5LTKMST1RDYRK1ACLK4
SCHEMBL12264651 0.69 DYRK1A (0.33) DYRK1A
SCHEMBL3047923 0.69 CDK5 (0.62) CDK5LTKMST1RDYRK1ACLK4
SCHEMBL2397573 0.68 GSK3B (0.47) CDK5LTKMST1RDYRK1ACLK4
SCHEMBL19669604 0.66 LTK (0.44) CDK5LTKMST1RDYRK1ACLK4
SCHEMBL1882636 0.65 KDM4E (0.46) CDK5LTKMST1RDYRK1ACLK4
SCHEMBL10745113 0.65 PGR (0.43) CDK5LTKMST1RDYRK1ACLK4
SCHEMBL15570741 0.65 CLK4 (0.54) CDK5LTKMST1RDYRK1ACLK4
SCHEMBL15571040 0.65 CLK4 (0.60) CDK5LTKMST1RDYRK1ACLK4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2550688-B1 PYRROLO[3,2-B]PYRROLE SEMICONDUCTING COMPOUNDS AND DEVICES INCORPORATING SAME RAYNERGY TEK INC (TW) 2016-10-26 EP disclosed
EP-2550688-B1 PYRROLO[3,2-B]PYRROLE SEMICONDUCTING COMPOUNDS AND DEVICES INCORPORATING SAME RAYNERGY TEK INC (TW) 2016-10-26 EP disclosed
US-8598448-B2 Pyrrolo[3,2-B]pyrrole semiconducting compounds and devices incorporating same POLYERA CORPORATION (US) 2013-12-03 US disclosed
WO-2011119446-A1 PYRROLO[3,2-B]PYRROLE SEMICONDUCTING COMPOUNDS AND DEVICES INCORPORATING SAME POLYERA CORPORATION (US) 2011-09-29 WO disclosed
US-20110226338-A1 PYRROLO[3,2-B]PYRROLE SEMICONDUCTING COMPOUNDS AND DEVICES INCORPORATING SAME RAYNERGY TEK INC. (TW) 2011-09-22 US disclosed
US-20110226338-A1 PYRROLO[3,2-B]PYRROLE SEMICONDUCTING COMPOUNDS AND DEVICES INCORPORATING SAME RAYNERGY TEK INC. (TW) 2011-09-22 US disclosed
US-20110226338-A1 PYRROLO[3,2-B]PYRROLE SEMICONDUCTING COMPOUNDS AND DEVICES INCORPORATING SAME RAYNERGY TEK INC. (TW) 2011-09-22 US disclosed