SCHEMBL22988458

SCHEMBL22988458

COCc1cccc2c1nc(N)n1nc(-c3cnn(C)c3)nc21

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 16/20 0.43
ADORA1 P30542 10/20 0.43
ADORA3 P0DMS8 10/20 0.43

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
SCHEMBL22988169 0.82 ADORA3 (0.48) ADORA2AADORA1ADORA3
SCHEMBL22987876 0.82 ADORA2A (0.48) ADORA2AADORA1ADORA3
SCHEMBL22988399 0.79 ADORA2A (0.45) ADORA2AADORA1ADORA3
SCHEMBL29645725 0.78 TP53 (0.35) ADORA2AADORA1ADORA3
SCHEMBL15846398 0.76 ADORA2A (0.42) ADORA2AADORA1
SCHEMBL22979914 0.75 KDM4E (0.35) ADORA2AADORA1ADORA3
SCHEMBL29648734 0.75 KDM4E (0.35) ADORA2AADORA1ADORA3
SCHEMBL15846219 0.75 ADORA2A (0.41) ADORA2AADORA1
SCHEMBL22988246 0.72 ADORA3 (0.56) ADORA2AADORA1ADORA3
SCHEMBL22987424 0.72 ADORA3 (0.40) ADORA2AADORA1ADORA3

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-2021028382-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES BAYER AKTIENGESELLSCHAFT (DE) 2021-02-18 WO disclosed