SCHEMBL2308097

SCHEMBL2308097

Nc1cn[nH]c1Cc1cccc(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.44
YTHDF3 Q7Z739 2/20 0.44
YTHDC1 Q96MU7 2/20 0.44
YTHDF1 Q9BYJ9 2/20 0.44
YTHDF2 Q9Y5A9 2/20 0.44
MPO P05164 1/20 0.43
HCAR2 Q8TDS4 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
CYP3A4 P08684 2/20 0.41
IDO1 P14902 2/20 0.41
AGXT P21549 2/20 0.41
CCR2 P41597 1/20 0.41
GLA P06280 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DAO P14920 1/20 0.40
PNP P00491 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
KMT2A Q03164 1/20 0.40
BACE1 P56817 1/20 0.39

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
SCHEMBL3300276 0.71 PNMT (0.65) PNMTTAAR1CYP3A4IDO1AGXT
SCHEMBL21384198 0.70 TP53 (0.55) PNMTMPOTAAR1CYP3A4IDO1
SCHEMBL29442835 0.70 TP53 (0.55) PNMTMPOTAAR1CYP3A4IDO1
SCHEMBL18148766 0.70 MPO (0.47) PNMTYTHDF3YTHDC1YTHDF1YTHDF2
SCHEMBL22968941 0.69 PDE4B (0.52) PNMTHCAR2TAAR1CYP3A4IDO1
SCHEMBL1300757 0.69 HTR2C (0.50) PNMTMPOTAAR1CYP3A4IDO1
SCHEMBL7397450 0.69 MPO (0.49) PNMTYTHDF3YTHDC1YTHDF1YTHDF2
SCHEMBL16401423 0.69 YTHDF3 (0.44) PNMTYTHDF3YTHDC1YTHDF1YTHDF2
SCHEMBL18586524 0.68 MPO (0.55) PNMTMPOTAAR1CYP3A4IDO1
SCHEMBL11778511 0.68 PNMT (0.52) PNMTMPOTAAR1CYP3A4IDO1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2348860-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS Genentech, Inc. (US) 2011-08-03 EP disclosed
WO-2010051549-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2010-05-06 WO disclosed