SCHEMBL7845115

SCHEMBL7845115

CCCCc1cc(N)n2ncc(CCCC)c2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.43
CHEK1 O14757 2/20 0.42
CCNA2 P20248 2/20 0.42
CDK2 P24941 2/20 0.42
CCNA1 P78396 2/20 0.42
TLR8 Q9NR97 2/20 0.39
TLR7 Q9NYK1 4/20 0.36
HRH2 P25021 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
CCNT1 O60563 1/20 0.35
CDK7 P50613 1/20 0.35
CDK9 P50750 1/20 0.35
CCNH P51946 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35

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
SCHEMBL7846696 0.79 RAB9A (0.62) CHEK1CCNA2CDK2CCNA1KDM4E
SCHEMBL7846702 0.72 NOS2 (0.45) NOS2TLR7HRH2HRH3GABRP
SCHEMBL7845174 0.72 CDK7 (0.54) NOS2CHEK1CCNA2CDK2CCNA1
SCHEMBL7847399 0.71 TLR7 (0.48) NOS2TLR7HRH2HRH3CCNT1
SCHEMBL26868024 0.70 CHEK1 (0.53) CHEK1CCNA2CDK2CCNA1HRH3
SCHEMBL31465464 0.69 KDM4E (0.41) NOS2CHEK1CCNA2CDK2CCNA1
SCHEMBL7443554 0.69 KDM4E (0.35) CHEK1CCNA2CDK2CCNA1KDM4E
SCHEMBL11608187 0.69 GSK3B (0.39) NOS2CHEK1CCNA2CDK2CCNA1
SCHEMBL7845874 0.69 KDM4E (0.51) NOS2TLR7HRH2HRH3CCNT1
SCHEMBL7438974 0.69 CHEK1 (0.33) CHEK1CCNA2CDK2CCNA1

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