SCHEMBL29645764

SCHEMBL29645764

O=c1nccccc1Nc1nc2ccc(F)cc2c2nc(-c3ccc(F)cc3)nn12

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 6/20 0.43
ADORA1 P30542 4/20 0.43
MAPT P10636 5/20 0.42
ADORA2A P29274 3/20 0.41
TP53 P04637 3/20 0.40
XDH P47989 1/20 0.39
POLB P06746 1/20 0.38
RXFP1 Q9HBX9 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
SCHEMBL29645503 0.92 ADORA3 (0.49) ADORA3ADORA1MAPTADORA2ATP53
SCHEMBL29645988 0.92 MAPT (0.47) ADORA3ADORA1MAPTADORA2ATP53
SCHEMBL29645909 0.91 ADORA3 (0.44) ADORA3ADORA1MAPTADORA2ATP53
SCHEMBL29645577 0.90 MAPT (0.45) ADORA3ADORA1MAPTTP53POLB
SCHEMBL29645913 0.88 CCNC (0.39) MAPT
SCHEMBL29645874 0.87 ADORA3 (0.40) ADORA3ADORA1MAPTADORA2A
SCHEMBL29646058 0.86 MAPT (0.47) MAPTTP53POLBRXFP1
SCHEMBL29645458 0.85 MAPT (0.50) ADORA3ADORA1MAPTTP53POLB
SCHEMBL29645760 0.84 MAPT (0.56) ADORA3ADORA1MAPTTP53POLB
SCHEMBL29645731 0.84 MAPT (0.44) ADORA3ADORA1MAPTTP53POLB

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
CN-114466850-A [1,2,4] triazolo [1,5-C ] quinazolin-5-amines 拜耳股份有限公司 2022-05-10 CN claimed