SCHEMBL6198110

SCHEMBL6198110

CCn1nc(-c2ccccc2)c(C#N)c1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
ADORA1 P30542 11/20 0.49
ADORA2A P29274 10/20 0.49
GAA P10253 1/20 0.47
LMNA P02545 3/20 0.45
ALDH1A1 P00352 3/20 0.45
TDP1 Q9NUW8 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
TNNI3 P19429 1/20 0.44
CRHBP P24387 1/20 0.44
MAPK1 P28482 1/20 0.44
CASP1 P29466 1/20 0.44
TNNT2 P45379 1/20 0.44
CASP7 P55210 1/20 0.44
TNNC1 P63316 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 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
SCHEMBL18988262 0.85 ADORA1 (0.47) TSHRADORA1ADORA2AGAAALDH1A1
SCHEMBL6881906 0.84 TSHR (0.68) TSHRADORA1ADORA2AGAALMNA
SCHEMBL4059086 0.83 PDE4A (0.51) ADORA1ADORA2ALMNAALDH1A1TDP1
SCHEMBL24411612 0.82 DGAT1 (0.40) TSHRGAALMNAALDH1A1KDM4E
SCHEMBL17173942 0.80 LMNA (0.56) ADORA1ADORA2ALMNAALDH1A1TDP1
SCHEMBL17726080 0.79 ADORA1 (0.43) TSHRADORA1ADORA2ALMNAALDH1A1
SCHEMBL29041058 0.79 MEN1 (0.50) TSHRADORA1GAALMNAALDH1A1
SCHEMBL8916000 0.78 TSHR (0.67) TSHRADORA1ADORA2AGAALMNA
SCHEMBL27847239 0.78 ADORA1 (0.54) ADORA1ADORA2ALMNAALDH1A1TDP1
SCHEMBL16200211 0.76 MEN1 (0.48) TSHRADORA1GAALMNAALDH1A1

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-0995751-B1 Pyrazolopyrimidinone cGMP PDE5 inhibitors for the treatment of sexual dysfunction PFIZER (US) 2005-06-29 EP disclosed
US-6407114-B1 BENIGN PROSTATIC HYPERPLASIA, CARDIOVASCULAR, GASTROINTESTINAL AND RESPIRATORY DISORDER TREATMENT; ANTIASTHMATIC, ANTIALLERGEN, AND ANTIDIABETIC AGENTS PFIZER INC. 2002-06-18 US disclosed
EP-0995751-A2 Pyrazolopyrimidinone cGMP PDE5 inhibitors for the treatment of sexual dysfunction PFIZER INC. (US) 2000-04-26 EP disclosed