SCHEMBL1495855

SCHEMBL1495855

Cn1ncc(C(=O)O)c1Nc1ccccc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 1/20 0.46
KDM5A P29375 2/20 0.45
KDM4C Q9H3R0 2/20 0.45
KDM5B Q9UGL1 2/20 0.45
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
MAPK13 O15264 5/20 0.41
MAPK12 P53778 5/20 0.41
MAPK11 Q15759 5/20 0.41
MAPK14 Q16539 5/20 0.41
KDM4E B2RXH2 3/20 0.41
NPC1 O15118 1/20 0.41
CASP3 P42574 1/20 0.41
RAB9A P51151 1/20 0.41
SENP8 Q96LD8 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL30933993 0.82 CDC25B (0.54) CDC25BKDM4ENPC1RAB9AHSD17B10
SCHEMBL27768216 0.79 AKR1C3 (0.52) KDM4ERAB9AALDH1A1MEN1GAA
SCHEMBL5554094 0.74 CDC25B (0.45) CDC25BHSD17B10ALDH1A1MEN1LMNA
SCHEMBL27789698 0.74 MEN1 (0.41) KDM5AKDM4CKDM5BALDH1A1MEN1
SCHEMBL4636974 0.72 CDC25B (0.73) CDC25BMAPK13MAPK12MAPK11MAPK14
SCHEMBL19730079 0.72 KDM4C (0.41) KDM5AKDM4CKDM5BKDM4ENPC1
SCHEMBL17853170 0.71 KDM4C (0.42) KDM5AKDM4CKDM5BKDM4EALDH1A1
SCHEMBL10919213 0.71 HDAC1 (0.41) HDAC1HDAC2MAPK13MAPK12MAPK11
SCHEMBL10915283 0.69 KDM1A (0.43) HDAC1HDAC2MAPK13MAPK12MAPK11
SCHEMBL11531525 0.69 CDC25B (0.51) CDC25BHDAC1HDAC2MAPK13MAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1781661-B1 VASOPRESSIN V1A ANTAGONISTS VANTIA LTD (GB) 2017-06-07 EP disclosed
EP-2256119-B1 Vasopressin V1a antagonists VANTIA LTD (GB) 2012-05-09 EP disclosed
EP-2292621-A1 Vasopressin v1a antagonists Vantia Limited (GB) 2011-03-09 EP disclosed
EP-2264037-A1 Vasopressin v1a antagonists Vantia Limited (GB) 2010-12-22 EP disclosed
EP-2256119-A1 Vasopressin V1a antagonists Vantia Limited (GB) 2010-12-01 EP disclosed
EP-1781661-A2 VASOPRESSIN V1A ANTAGONISTS Ferring B.V. (NL) 2007-05-09 EP disclosed
EP-1660501-A2 PIPERAZINES AS OXYTOCIN AGONISTS FERRING B.V. (NL) 2006-05-31 EP disclosed
WO-2006021213-A2 VASOPRESSIN V1A ANTAGONISTS FERRING B.V. (NL) 2006-03-02 WO disclosed
WO-2005023812-A2 PIPERAZINES AS OXYTOCIN AGONISTS FERRING B.V. (NL) 2005-03-17 WO disclosed