SCHEMBL7885804

SCHEMBL7885804

Cc1nc2sc3c(c2c2[nH][nH]c(=O)c12)CCN(C(=O)OC(C)(C)C)C3

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 8/20 0.49
P2RX3 P56373 6/20 0.47
KDM4E B2RXH2 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
PRKCI P41743 2/20 0.47
ADORA1 P30542 2/20 0.47

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
SCHEMBL9598331 0.77 ADORA1 (0.64) MKNK1P2RX3KDM4EPRKCIADORA1
SCHEMBL1017080 0.76 KDM4E (0.76) MKNK1P2RX3KDM4ERXFP1
SCHEMBL4059322 0.73 P2RX3 (0.52) MKNK1P2RX3PRKCIADORA1
SCHEMBL7878742 0.72 CYP1A2 (0.58) KDM4ERXFP1
SCHEMBL12284281 0.71 ADORA1 (0.55) MKNK1P2RX3KDM4ERXFP1PRKCI
Hydrochloric Acid SCHEMBL7887965 0.71 CYP1A2 (0.57) KDM4ERXFP1
SCHEMBL24996003 0.71 MKNK1 (0.66) MKNK1P2RX3ADORA1
SCHEMBL30879369 0.71 MKNK1 (0.66) MKNK1P2RX3ADORA1
SCHEMBL18358077 0.71 P2RX3 (0.66) MKNK1P2RX3RXFP1
SCHEMBL8204125 0.71 KDM4E (0.48) MKNK1P2RX3KDM4ERXFP1PRKCI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6107304-A ANEMIA SMITHKLINE BEECHAM CORPORATION (US) 2000-08-22 US claimed
EP-0869790-A4 THIENO(2,3-b)PYRAZOLO(3,4-d)PYRIDIN-3-ONES TO ENHANCE ERYTHROPOIESIS SMITHKLINE BEECHAM CORP (US) 2001-04-11 EP disclosed
US-6107304-A ANEMIA SMITHKLINE BEECHAM CORPORATION (US) 2000-08-22 US disclosed
EP-0869790-A1 THIENO(2,3-b)PYRAZOLO(3,4-d)PYRIDIN-3-ONES TO ENHANCE ERYTHROPOIESIS SMITHKLINE BEECHAM CORPORATION (US) 1998-10-14 EP disclosed
WO-1997024120-A1 THIENO(2,3-b)PYRAZOLO(3,4-d)PYRIDIN-3-ONES TO ENHANCE ERYTHROPOIESIS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 WO disclosed