SCHEMBL7229274

SCHEMBL7229274

CCSC(=N)Nc1nc(C)c(-c2cc(C)ccn2)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.39
PIK3CD O00329 2/20 0.39
PIK3CB P42338 2/20 0.39
PIK3CG P48736 2/20 0.39
NR2F2 P24468 1/20 0.38
MEN1 O00255 5/20 0.38
MAPT P10636 5/20 0.38
KMT2A Q03164 5/20 0.38
LMNA P02545 3/20 0.38
NPC1 O15118 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
CCR1 P32246 1/20 0.37
CCR5 P51681 1/20 0.37
CCR8 P51685 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
CFTR P13569 2/20 0.37
ALDH1A1 P00352 4/20 0.36
ATM Q13315 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
Hydrochloric Acid SCHEMBL7231883 0.99 PIK3CA (0.38) PIK3CAPIK3CDPIK3CBPIK3CGNR2F2
SCHEMBL7238640 0.83 KMT2A (0.40) PIK3CAPIK3CDPIK3CBPIK3CGNR2F2
Hydrochloric Acid SCHEMBL7239873 0.83 NR2F2 (0.41) PIK3CAPIK3CDPIK3CBPIK3CGNR2F2
SCHEMBL10667475 0.83 PIK3CA (0.41) PIK3CAPIK3CDPIK3CBPIK3CGNR2F2
SCHEMBL7240091 0.81 CDK4 (0.40) PIK3CAPIK3CDPIK3CBPIK3CGNR2F2
SCHEMBL7229068 0.81 PIK3CA (0.40) PIK3CAPIK3CDPIK3CBPIK3CGNR2F2
Hydrochloric Acid SCHEMBL7238261 0.80 NR2F2 (0.39) PIK3CAPIK3CDPIK3CBPIK3CGNR2F2
SCHEMBL7239807 0.78 ALDH1A1 (0.43) PIK3CAPIK3CDPIK3CBPIK3CGNR2F2
SCHEMBL7240097 0.76 PIK3CA (0.40) PIK3CAPIK3CDPIK3CBPIK3CGNR2F2
SCHEMBL7229076 0.76 PIK3CA (0.40) PIK3CAPIK3CDPIK3CBPIK3CGNR2F2

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
US-6521643-B1 Prevention and/or treatment of nitric oxide synthasey medi-ated diseases such as adult respiratory distress syndrome, myocarditis, synovitis, septic shock, diabetes, ulcerative colitis, cerebral infarction, osteoarthritis FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-02-18 US disclosed
EP-1157022-A1 PYRIDINE COMPOUNDS AND THEIR PHARMACEUTICAL USE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-28 EP disclosed
WO-2000049015-A1 PYRIDINE COMPOUNDS AND THEIR PHARMACEUTICAL USE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-08-24 WO disclosed