SCHEMBL1554784

SCHEMBL1554784

NNC(=O)c1n[nH]c2ncccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.60
MAPK10 P53779 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ALDH1A1 P00352 5/20 0.46
MAPK1 P28482 1/20 0.46
P2RX7 Q99572 3/20 0.46
YTHDC1 Q96MU7 1/20 0.43
GAA P10253 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
FLT3 P36888 1/20 0.41
CCNA1 P78396 1/20 0.41
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HTT P42858 2/20 0.40
RAB9A P51151 2/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
NPC1 O15118 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
SCHEMBL29732854 0.83 CAMKK2 (0.46) KDM4EMAPK10HSD17B10ALDH1A1MAPK1
SCHEMBL1384475 0.83 CAMKK2 (0.46) KDM4EMAPK10HSD17B10ALDH1A1MAPK1
SCHEMBL28098788 0.83 MAP2K1 (0.41) KDM4EMAPK10HSD17B10ALDH1A1MAPK1
SCHEMBL1048847 0.81 KDM4E (0.47) KDM4EMAPK10HSD17B10ALDH1A1MAPK1
SCHEMBL29623160 0.81 KDM4E (0.47) KDM4EMAPK10HSD17B10ALDH1A1MAPK1
SCHEMBL5924436 0.80 MAP2K1 (0.43) KDM4EMAPK10HSD17B10ALDH1A1MAPK1
SCHEMBL5924295 0.80 KDM4E (0.40) KDM4EMAPK10HSD17B10ALDH1A1MAPK1
SCHEMBL5924485 0.79 KDM4E (0.40) KDM4EMAPK10HSD17B10ALDH1A1MAPK1
SCHEMBL19997255 0.79 GSK3A (0.45) KDM4EMAPK10HSD17B10ALDH1A1MAPK1
SCHEMBL4667694 0.78 CAMKK2 (0.39) KDM4EMAPK10HSD17B10ALDH1A1MAPK1

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-2488519-A1 PYRAZOLOPYRIDINE DERIVATIVES AS ANTICANCER AGENT Pierre Fabre Médicament (FR) 2012-08-22 EP disclosed
WO-2011045344-A1 PYRAZOLOPYRIDINE DERIVATIVES AS ANTICANCER AGENT PIERRE FABRE MEDICAMENT (FR) 2011-04-21 WO disclosed