SCHEMBL21153185

SCHEMBL21153185

CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(C)c4)c3)nc2n2ccnc12

nearest known ligand 0.76

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 20/20 0.76
ADORA1 P30542 19/20 0.76
ADORA2A P29274 18/20 0.76
ADORA3 P0DMS8 10/20 0.62
PLK4 O00444 1/20 0.58
CDK2 P24941 1/20 0.58
IRAK1 P51617 1/20 0.58
RPS6KA3 P51812 1/20 0.58
PLK3 Q9H4B4 1/20 0.58
CSNK1G3 Q9Y6M4 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
SCHEMBL30291859 0.91 ADORA2B (0.62) ADORA2BADORA1ADORA2AADORA3PLK4
SCHEMBL21121530 0.91 ADORA2B (0.76) ADORA2BADORA1ADORA2AADORA3
SCHEMBL21121160 0.91 ADORA2B (0.62) ADORA2BADORA1ADORA2AADORA3PLK4
SCHEMBL23067585 0.91 ADORA2B (0.74) ADORA2BADORA1ADORA2AADORA3
SCHEMBL23067642 0.90 ADORA2B (0.77) ADORA2BADORA1ADORA2AADORA3PLK4
SCHEMBL21153172 0.89 ADORA2B (0.60) ADORA2BADORA1ADORA2AADORA3PLK4
SCHEMBL24591548 0.89 ADORA2B (0.60) ADORA2BADORA1ADORA2AADORA3PLK4
SCHEMBL21153173 0.89 ADORA2B (0.60) ADORA2BADORA1ADORA2AADORA3PLK4
SCHEMBL21121161 0.89 ADORA2B (0.77) ADORA2BADORA1ADORA2AADORA3PLK4
SCHEMBL30291862 0.89 ADORA2B (0.60) ADORA2BADORA1ADORA2AADORA3PLK4

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
WO-2019135259-A1 TRICYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF IMPETIS BIOSCIENCES LTD. (IN) 2019-07-11 WO disclosed