SCHEMBL29646027

SCHEMBL29646027

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
P2RX7 Q99572 1/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
ADORA3 P0DMS8 6/20 0.35
ADORA1 P30542 4/20 0.35
USP1 O94782 1/20 0.34
WDR48 Q8TAF3 1/20 0.34
ADORA2A P29274 2/20 0.33
LMNA P02545 1/20 0.33
PDE10A Q9Y233 1/20 0.33
NR1H2 P55055 2/20 0.32
NR1H3 Q13133 2/20 0.32
NR1I2 O75469 1/20 0.32
NR3C1 P04150 1/20 0.32
SLC40A1 Q9NP59 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
SCHEMBL29645499 0.91 MAPT (0.37) MAPTLMNAPDE10ATP53
SCHEMBL31150040 0.90 MAPT (0.35) MAPTP2RX7MEN1CYP1A2CYP3A4
SCHEMBL29646050 0.90 MAPT (0.42) MAPTP2RX7MEN1KMT2AADORA3
SCHEMBL29645521 0.87 ADORA3 (0.43) MAPTADORA3ADORA1ADORA2ALMNA
SCHEMBL29645704 0.87 MAPT (0.37) MAPTADORA3ADORA1ADORA2ATP53
SCHEMBL29645682 0.85 ADORA3 (0.40) MAPTP2RX7ADORA3ADORA1ADORA2A
SCHEMBL29646031 0.85 KDR (0.33) P2RX7ADORA3ADORA1ADORA2APDE10A
SCHEMBL29645503 0.84 ADORA3 (0.49) MAPTKMT2AADORA3ADORA1ADORA2A
SCHEMBL31149879 0.82 MAPT (0.35) MAPTCYP1A2CYP3A4CYP2C19PDE10A
SCHEMBL29645909 0.81 ADORA3 (0.44) MAPTADORA3ADORA1ADORA2ATP53

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