SCHEMBL6155336

SCHEMBL6155336

CCC(N)c1ncn(CC)c2nc(C3CC3)nc1-2

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 5/20 0.32
LCP2 Q13094 1/20 0.32
ABL1 P00519 1/20 0.32
SRC P12931 1/20 0.32
ADORA2A P29274 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
SCHEMBL6155780 0.78 PDE10A (0.42)
SCHEMBL6674429 0.78 PDE10A (0.33) ABL1SRC
SCHEMBL6673569 0.78 PDE10A (0.32) ABL1SRC
SCHEMBL1388163 0.76 PDE10A (0.35) ABL1SRC
SCHEMBL5964670 0.75 PDE10A (0.46) ABL1SRC
Hydrochloric Acid SCHEMBL7326791 0.74 PDE10A (0.45) ABL1SRC
SCHEMBL1387994 0.73 PDE10A (0.48) ABL1SRCADORA2A
Hydrochloric Acid SCHEMBL7032743 0.72 PDE10A (0.47) ABL1SRC
SCHEMBL1387905 0.72 CHRM3 (0.48) ADORA2A
Hydrochloric Acid SCHEMBL7027686 0.71 CHRM3 (0.47) ADORA2A

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-0912575-B1 PROCESSES FOR THE SYNTHESIS OF CHEMICAL COMPOUNDS HAVING PDE-IV INHIBITORY ACTIVITY EURO CELTIQUE SA (LU) 2005-02-02 EP disclosed
US-6310205-B1 Hypoxathine compounds EURO-CELTIQUE, S.A. (LU) 2001-10-30 US disclosed
EP-0912575-A4 IMPROVED METHODS FOR THE SYNTHESIS OF CHEMICAL COMPOUNDS HAVING PDE-IV INHIBITORY ACTIVITY EURO CELTIQUE SA (LU) 2001-04-25 EP disclosed
EP-0912575-A1 IMPROVED METHODS FOR THE SYNTHESIS OF CHEMICAL COMPOUNDS HAVING PDE-IV INHIBITORY ACTIVITY Euro-Celtique S.A. (LU) 1999-05-06 EP disclosed
US-5864037-A Methods for the synthesis of chemical compounds having PDE-IV inhibitory activity EURO-CELTIQUE, S.A. (LU) 1999-01-26 US disclosed
WO-1997046561-A1 IMPROVED METHODS FOR THE SYNTHESIS OF CHEMICAL COMPOUNDS HAVING PDE-IV INHIBITORY ACTIVITY EURO-CELTIQUE, S.A. (LU) 1997-12-11 WO disclosed