SCHEMBL7844689

SCHEMBL7844689

CCCCc1cc(N)n2nc(C)c(C(=O)OCC)c2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.42
MAPK1 P28482 2/20 0.40
NOS2 P35228 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 2/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 2/20 0.39
CSNK1D P48730 1/20 0.39
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 2/20 0.38
MAPT P10636 2/20 0.38
TSHR P16473 2/20 0.38
GMNN O75496 1/20 0.38
USP2 O75604 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL7846702 0.73 NOS2 (0.45) MAPK1NOS2SMN1; SMN2HPGDALDH1A1
SCHEMBL18287265 0.70 NR1H2 (0.51) NOS2SMN1; SMN2HPGDALDH1A1USP2
SCHEMBL19036910 0.70 PDE4D (0.49) PDE4DMAPK1SMN1; SMN2MEN1LMNA
SCHEMBL18560018 0.69 ALDH1A1 (0.46) MAPK1SMN1; SMN2MEN1LMNAKMT2A
SCHEMBL7845874 0.67 KDM4E (0.51) NOS2SMN1; SMN2MEN1LMNAKMT2A
SCHEMBL16851080 0.67 GAA (0.51) PDE4DMAPK1SMN1; SMN2MEN1LMNA
SCHEMBL31278120 0.67 NPSR1 (0.43) PDE4DSMN1; SMN2MEN1KMT2AHPGD
SCHEMBL4233638 0.67 ATM (0.45) PDE4DSMN1; SMN2LMNAKMT2AHPGD
SCHEMBL7847399 0.67 TLR7 (0.48) NOS2SMN1; SMN2MEN1LMNAKMT2A
SCHEMBL7845115 0.66 NOS2 (0.43) MAPK1NOS2SMN1; SMN2MEN1KMT2A

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-0714898-B1 PYRAZOLO [1,5-a]PYRIMIDINE DERIVATIVE OTSUKA PHARMA CO LTD (JP) 2001-11-14 EP disclosed
US-5707997-A ANALGESICS OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1998-01-13 US disclosed
EP-0714898-A1 PYRAZOLO [1,5-a]PYRIMIDINE DERIVATIVE OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1996-06-05 EP disclosed