SCHEMBL22987873

SCHEMBL22987873

CN(C)c1cccc(-c2nc3c4ccccc4nc(N)n3n2)c1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 5/20 0.50
ADORA1 P30542 3/20 0.50
ADORA2A P29274 1/20 0.49
RXFP1 Q9HBX9 1/20 0.45
TP53 P04637 1/20 0.45
THRB P10828 1/20 0.44
MAPT P10636 3/20 0.43
PDPK1 O15530 1/20 0.43
POLB P06746 1/20 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
SCHEMBL22988309 0.86 ADORA3 (0.53) ADORA3ADORA1ADORA2ATP53MAPT
SCHEMBL22988115 0.86 ADORA3 (0.50) ADORA3ADORA1RXFP1TP53THRB
SCHEMBL22987825 0.81 CSNK1D (0.59) ADORA3ADORA1ADORA2ARXFP1TP53
SCHEMBL22988124 0.79 ADORA3 (0.48) ADORA3ADORA1ADORA2ARXFP1TP53
SCHEMBL30393378 0.77 NPC1 (0.52) ADORA3ADORA1RXFP1TP53MAPT
SCHEMBL29649000 0.76 TP53 (0.46) ADORA3ADORA1RXFP1TP53THRB
SCHEMBL22988327 0.76 ADORA1 (0.47) ADORA3ADORA1ADORA2ARXFP1TP53
SCHEMBL29645973 0.76 TP53 (0.46) ADORA3ADORA1RXFP1TP53THRB
SCHEMBL22988160 0.75 GABRP (0.71) RXFP1TP53POLB
SCHEMBL743593 0.75 RXFP1 (0.58) ADORA3ADORA1ADORA2ARXFP1TP53

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