SCHEMBL29645803

SCHEMBL29645803

COc1ccc(-c2nc3c4cccc(C(F)(F)F)c4nc(Nc4ccccnc4=O)n3n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 3/20 0.42
THRB P10828 1/20 0.42
ADORA3 P0DMS8 8/20 0.41
TP53 P04637 1/20 0.40
XDH P47989 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
ACP1 P24666 1/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
P2RX7 Q99572 2/20 0.36

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
SCHEMBL29645927 0.92 KDM4E (0.44) POLBKDM4EALDH1A1MAPTTHRB
SCHEMBL31149996 0.91 POLB (0.42) POLBKDM4EALDH1A1MAPTTHRB
SCHEMBL29645682 0.90 ADORA3 (0.40) MAPTADORA3TP53XDHRXFP1
SCHEMBL29645914 0.90 NR1H2 (0.40) MAPTADORA3XDHADORA2AADORA1
SCHEMBL29645839 0.90 KDM4E (0.47) POLBKDM4EALDH1A1MAPTTHRB
SCHEMBL29645574 0.89 KDM4E (0.48) POLBKDM4EALDH1A1MAPTTHRB
SCHEMBL29645741 0.89 KDM4E (0.48) POLBKDM4EALDH1A1MAPTTHRB
SCHEMBL29646008 0.88 KDM4E (0.47) POLBKDM4EALDH1A1MAPTTHRB
SCHEMBL29645699 0.88 KDM4E (0.47) POLBKDM4EALDH1A1MAPTTHRB
SCHEMBL29645929 0.88 KDM4E (0.47) POLBKDM4EALDH1A1MAPTTHRB

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