SCHEMBL29645704

SCHEMBL29645704

O=c1nccccc1Nc1nc2cccc(Br)c2c2nc(-c3ccc(F)cc3)nn12

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
ADORA3 P0DMS8 7/20 0.35
ADORA1 P30542 4/20 0.35
ABCG2 Q9UNQ0 1/20 0.34
ADORA2A P29274 4/20 0.34
TP53 P04637 1/20 0.33
XDH P47989 1/20 0.33
KCNA5 P22460 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
POLB P06746 1/20 0.32
AHR P35869 1/20 0.32

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
SCHEMBL29645787 0.91 MAPT (0.38) MAPTTP53RXFP1POLB
SCHEMBL31149887 0.90 RXFP1 (0.36) MAPTADORA3ADORA1ABCG2ADORA2A
SCHEMBL29645521 0.89 ADORA3 (0.43) MAPTADORA3ADORA1ADORA2ATP53
SCHEMBL29645991 0.88 MAPT (0.44) MAPTADORA3ADORA1ADORA2AXDH
SCHEMBL29646027 0.87 MAPT (0.36) MAPTADORA3ADORA1ADORA2ATP53
SCHEMBL29645503 0.85 ADORA3 (0.49) MAPTADORA3ADORA1ADORA2ATP53
SCHEMBL29645825 0.85 TP53 (0.41) MAPTADORA3ADORA1ABCG2ADORA2A
SCHEMBL29645501 0.84 EGFR (0.33) ADORA3
SCHEMBL29645764 0.82 ADORA3 (0.43) MAPTADORA3ADORA1ADORA2ATP53
SCHEMBL31149874 0.81 MAPT (0.36) MAPTABCG2TP53RXFP1

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