SCHEMBL29645835

SCHEMBL29645835

Cn1cc(-c2nc3c4ccc(Br)cc4nc(Nc4ccccnc4=O)n3n2)cn1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 5/20 0.39
ADORA2A P29274 3/20 0.38
ALK Q9UM73 1/20 0.37
AXL P30530 2/20 0.37
ADORA1 P30542 2/20 0.37
AURKB Q96GD4 2/20 0.34
RAD52 P43351 1/20 0.34
MAPT P10636 3/20 0.34
ALDH1A1 P00352 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
EGFR P00533 2/20 0.34
POLB P06746 1/20 0.34
ERBB2 P04626 1/20 0.34
ERBB4 Q15303 1/20 0.34
MET P08581 2/20 0.33
JUN P05412 1/20 0.33
MAPK8 P45983 1/20 0.33
MAPK10 P53779 1/20 0.33

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
SCHEMBL29645782 0.89 MAPT (0.43) ADORA3ADORA2AALKADORA1RAD52
SCHEMBL29645919 0.88 MAPT (0.41) ADORA3AURKBMAPTALDH1A1RXFP1
SCHEMBL29645664 0.87 ADORA3 (0.40) ADORA3ADORA2AALKADORA1AURKB
SCHEMBL29645548 0.86 ADORA3 (0.37) ADORA3ADORA2AALKAXLADORA1
SCHEMBL29646322 0.85 RXFP1 (0.40) ADORA3ADORA2AALKADORA1MAPT
SCHEMBL29645783 0.84 ADORA3 (0.42) ADORA3
SCHEMBL29645874 0.84 ADORA3 (0.40) ADORA3ADORA2AALKADORA1MAPT
SCHEMBL29645995 0.83 MAPT (0.47) ADORA3ADORA2AMAPTALDH1A1RXFP1
SCHEMBL29645501 0.83 EGFR (0.33) ADORA3ALKEGFRMETJUN
SCHEMBL29645810 0.83 ADORA3 (0.35) ADORA3ADORA2AALKADORA1RXFP1

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