SCHEMBL29645546

SCHEMBL29645546

O=c1nccccc1Nc1nc2ccccc2c2nc(-c3cc(Cl)ccc3OC(F)(F)F)nn12

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
TP53 P04637 1/20 0.38
C1R P00736 1/20 0.37
POLB P06746 1/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
ADORA3 P0DMS8 3/20 0.35
IGF1R P08069 1/20 0.35
ADORA2B P29275 1/20 0.35
GAA P10253 1/20 0.35
THRB P10828 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL29645715 0.94 MAPT (0.39) MAPTTP53C1RPOLBADORA3
SCHEMBL29645596 0.91 C1R (0.39) MAPTTP53C1RPOLBADORA3
SCHEMBL29645459 0.90 C1R (0.43) MAPTTP53C1RPOLBTHRB
SCHEMBL29645621 0.90 C1R (0.37) MAPTTP53C1RPOLBADORA3
SCHEMBL29646039 0.86 C1R (0.40) MAPTTP53C1RPOLBADORA3
SCHEMBL29645518 0.86 C1R (0.38) MAPTTP53C1RPOLBTHRB
SCHEMBL29645642 0.84 MAPT (0.43) MAPTTP53C1RPOLBGAA
SCHEMBL29645931 0.84 MAPT (0.39) MAPTTP53POLBADORA3
SCHEMBL29645620 0.83 MAPT (0.36) MAPTTP53C1RPOLBTHRB
SCHEMBL29645700 0.81 MAPT (0.45) MAPTTP53POLBADORA3GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114466850-B [1,2,4] Triazolo [1,5-C ] quinazolin-5-amine 拜耳股份有限公司 2024-09-10 CN claimed
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