SCHEMBL2932137

SCHEMBL2932137

COc1ccc(CN2CCN(OC(=O)Nc3nc4c(OC)ncnc4s3)CC2)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.42
KMT2A Q03164 2/20 0.39
KDR P35968 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.38
HCAR1 Q9BXC0 2/20 0.37
ENPP2 Q13822 1/20 0.37
GPR6 P46095 1/20 0.37

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
SCHEMBL2924971 0.94 CCR3 (0.40) CCR3ALDH1A1LMNAHCAR1
SCHEMBL2930809 0.90 LMNA (0.40) KMT2AALDH1A1LMNAMEN1
SCHEMBL1760878 0.89 FAAH (0.47) CCR3KDRLMNA
SCHEMBL2927088 0.88 GPR6 (0.41) KMT2AMEN1GPR6
SCHEMBL2931482 0.88 MEN1 (0.39) KMT2AMEN1HCAR1GPR6
SCHEMBL3049811 0.88 MEN1 (0.42) KMT2AALDH1A1LMNAMEN1
SCHEMBL2930508 0.88 GPR6 (0.34) HCAR1GPR6
SCHEMBL2929411 0.87 ADORA2A (0.41) KMT2AALDH1A1MEN1
SCHEMBL2930504 0.85 FAAH (0.45) KMT2AALDH1A1LMNAMEN1GPR6
SCHEMBL2931169 0.85 OGA (0.38) KMT2ALMNAMEN1GPR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2027132-B1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-09-15 EP claimed