SCHEMBL6196159

SCHEMBL6196159

CCCn1nc(Cc2ccccc2)c(C#N)c1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
GAA P10253 2/20 0.49
ALDH1A1 P00352 3/20 0.41
NR1I2 O75469 1/20 0.41
AHR P35869 1/20 0.41
LTB4R Q15722 1/20 0.40
LMNA P02545 3/20 0.38
GRK6 P43250 1/20 0.38
MAPT P10636 4/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SAE1 Q9UBE0 1/20 0.38
UBA2 Q9UBT2 1/20 0.38
AS3MT Q9HBK9 1/20 0.37
LRRK2 Q5S007 1/20 0.36

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
SCHEMBL9912488 0.83 GAA (0.50) TSHRGAAALDH1A1LTB4RLMNA
SCHEMBL31194571 0.78 TSHR (0.70) TSHRGAAALDH1A1MAPTKDM4E
SCHEMBL7313785 0.77 GAA (0.47) TSHRGAAALDH1A1LTB4RLMNA
SCHEMBL14985590 0.74 TSHR (0.42) TSHRGAAALDH1A1LMNAMAPT
SCHEMBL20550869 0.74 GAA (0.38) TSHRGAAALDH1A1NR1I2AHR
SCHEMBL6197245 0.74 TSHR (0.50) TSHRGAAALDH1A1NR1I2AHR
SCHEMBL11546474 0.73 TSHR (0.40) TSHRGAAALDH1A1NR1I2AHR
SCHEMBL6194624 0.72 GAA (0.36) TSHRGAAALDH1A1NR1I2AHR
SCHEMBL7352542 0.71 TSHR (0.56) TSHRGAAALDH1A1NR1I2AHR
SCHEMBL7311064 0.71 HPGD (0.43) TSHRGAAALDH1A1LMNAMAPT

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