SCHEMBL29645933

SCHEMBL29645933

O=c1nccccc1Nc1nc2c(Cl)cccc2c2nc(-c3ccc(F)cc3)nn12

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
ADORA3 P0DMS8 7/20 0.39
ADORA1 P30542 4/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
ADORA2A P29274 4/20 0.37
XDH P47989 1/20 0.37
THRB P10828 1/20 0.35
PDE5A O76074 1/20 0.34

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
SCHEMBL29645778 0.91 LMNA (0.38) TP53MAPTMEN1KMT2ARXFP1
SCHEMBL29645618 0.90 ADORA3 (0.40) TP53ADORA3ADORA1MAPTRXFP1
SCHEMBL29645864 0.90 MAPT (0.40) MAPTKMT2ATHRB
SCHEMBL31150081 0.90 MAPT (0.40) TP53ADORA3ADORA1MAPTRXFP1
SCHEMBL29645825 0.89 TP53 (0.41) TP53ADORA3ADORA1MAPTRXFP1
SCHEMBL29645929 0.88 KDM4E (0.47) TP53ADORA3ADORA1MAPTKMT2A
SCHEMBL29645682 0.87 ADORA3 (0.40) TP53ADORA3ADORA1MAPTRXFP1
SCHEMBL29645503 0.85 ADORA3 (0.49) TP53ADORA3ADORA1MAPTKMT2A
SCHEMBL29645521 0.85 ADORA3 (0.43) TP53ADORA3ADORA1MAPTADORA2A
SCHEMBL29645755 0.83 MAPT (0.40) ADORA3ADORA1MAPTADORA2AXDH

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