SCHEMBL7140983

SCHEMBL7140983

C1=NNC(C2CCCC2)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PRCP P42785 1/20 0.41
JAK2 O60674 1/20 0.32
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
NOS2 P35228 1/20 0.31
NOS1 P29475 1/20 0.30

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
SCHEMBL7140989 1.00 PRCP (0.41) PRCPJAK2IDO1TDO2NOS2
SCHEMBL7138502 0.98 PRCP (0.44) PRCPJAK2IDO1TDO2NOS2
SCHEMBL7138506 0.98 PRCP (0.44) PRCPJAK2IDO1TDO2NOS2
SCHEMBL7146604 0.97 PRCP (0.38) PRCPNOS2NOS1
SCHEMBL7146601 0.97 PRCP (0.38) PRCPNOS2NOS1
SCHEMBL7135643 0.93 PRCP (0.33) PRCP
SCHEMBL7135646 0.93 PRCP (0.33) PRCP
SCHEMBL7140891 0.76
SCHEMBL7140897 0.76
SCHEMBL7138440 0.69 PRCP (0.38) PRCP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0966464-B1 SUBSTITUTED 2,4-DIAMINOPYRIMIDINES BASILEA PHARMACEUTICA AG (CH) 2003-05-28 EP disclosed
CN-1091109-C Substituted 2, 4-diaminopyrimidines BASLIER PHARMACEUTICALS AG (CH) 2002-09-18 CN disclosed
US-6114330-A BACTERICIDES HOFFMANN-LA ROCHE INC. (US) 2000-09-05 US disclosed
CN-1249751-A Substituted 2, 4-diaminopyrimidines HOFFMANN LA ROCHE (CH) 2000-04-05 CN disclosed
EP-0966464-A1 SUBSTITUTED 2,4-DIAMINOPYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 1999-12-29 EP disclosed
WO-1998039328-A1 SUBSTITUTED 2,4-DIAMINOPYRIMIDINES F.HOFFMANN-LA ROCHE AG (CH) 1998-09-11 WO disclosed