SCHEMBL14864249

SCHEMBL14864249

O=C(Nc1nc(-c2ccco2)c(C(=O)c2ccc(F)cc2)s1)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 15/20 0.67
ADORA1 P30542 14/20 0.67
ADORA3 P0DMS8 9/20 0.62
KDM4E B2RXH2 1/20 0.58
NPC1 O15118 1/20 0.58
KMT2A Q03164 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
RXFP1 Q9HBX9 1/20 0.58

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
SCHEMBL1255219 0.92 ADORA1 (0.57) ADORA2AADORA1ADORA3KDM4ENPC1
SCHEMBL1255640 0.88 ADORA2A (0.68) ADORA2AADORA1ADORA3KDM4ENPC1
SCHEMBL1256007 0.85 ADORA2A (0.77) ADORA2AADORA1ADORA3
SCHEMBL1256952 0.84 ADORA2A (0.62) ADORA2AADORA1ADORA3
SCHEMBL1255443 0.83 ADORA2A (0.62) ADORA2AADORA1ADORA3
SCHEMBL1256080 0.83 ADORA2A (0.62) ADORA2AADORA1ADORA3
SCHEMBL1254337 0.83 ADORA2A (0.64) ADORA2AADORA1ADORA3KDM4ENPC1
SCHEMBL1256085 0.83 ADORA2A (0.53) ADORA2AADORA1ADORA3
SCHEMBL1255377 0.82 ADORA2A (0.62) ADORA2AADORA1ADORA3
SCHEMBL1256862 0.82 ADORA2A (0.71) ADORA2AADORA1ADORA3KDM4ENPC1

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
US-8889718-B2 Thiazole derivatives KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-11-18 US disclosed
US-8420827-B2 Thiazole derivatives KYOWA HAKKO KIRIN CO., LTD. (JP) 2013-04-16 US disclosed