SCHEMBL7003375

SCHEMBL7003375

CSC(c1cc(-c2cccs2)nc2ccnn12)P(=O)(O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.47
PIM3 Q86V86 1/20 0.47
PLK3 Q9H4B4 1/20 0.47
PIM2 Q9P1W9 1/20 0.47
AURKA O14965 1/20 0.44
JAK2 O60674 1/20 0.44
NTRK1 P04629 1/20 0.44
RET P07949 1/20 0.44
FGFR1 P11362 1/20 0.44
PRKACA P17612 1/20 0.44
LTK P29376 1/20 0.44
KDR P35968 1/20 0.44
MAP2K2 P36507 1/20 0.44
FLT3 P36888 1/20 0.44
MAPK8 P45983 1/20 0.44
MAPK9 P45984 1/20 0.44
CSNK1A1 P48729 1/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
CDK5 Q00535 1/20 0.44

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
SCHEMBL7093391 0.83 PIK3CG (0.45) MAPK8KDM4EALDH1A1HPGDPIK3CG
SCHEMBL7002943 0.80 PIK3CG (0.41) PIM1PIM3PLK3PIM2MAPK8
SCHEMBL6993786 0.78 PIK3CG (0.35) PIM1PIM3PLK3PIM2KDR
SCHEMBL7000312 0.77 PIM1 (0.48) PIM1PIM3PLK3PIM2AURKA
SCHEMBL7003374 0.75 PIM1 (0.44) PIM1PIM3PLK3PIM2AURKA
SCHEMBL7003976 0.75 CDK9 (0.40) PRKAA1KDM4EALDH1A1HPGDPIK3CG
SCHEMBL7002683 0.75 PRKAB2 (0.41) PIM1PIM3PLK3PIM2PRKAA1
SCHEMBL7001263 0.74 PIM1 (0.43) PIM1PIM3PLK3PIM2AURKA
SCHEMBL7000634 0.73 CDK9 (0.42) PRKAA1KDM4EALDH1A1HPGDPIK3CG
SCHEMBL12953626 0.73 PIM1 (0.53) PIM1PIM3PLK3PIM2AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1081149-B1 PYRAZOLO 1,5-a]PYRIMIDINE DERIVATIVES OTSUKA PHARMA CO LTD (JP) 2003-04-02 EP disclosed
US-6372749-B1 PHARMACOLOGICAL EFFECTS SUCH AS ANALGESIC ACTION, INHIBITORY EFFECT ON NITROGEN MONOXIDE SYNTHETASE AND THE LIKE AND ARE USEFUL AS ANALGESICS. OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2002-04-16 US disclosed
EP-1081149-A1 PYRAZOLO 1,5-a]PYRIMIDINE DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2001-03-07 EP disclosed