SCHEMBL29645960

SCHEMBL29645960

O=c1nccccc1Nc1nc2c(Br)cccc2c2nc(-c3ccc(Cl)cc3OC(F)(F)F)nn12

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 8/20 0.33
TNKS O95271 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
MAPT P10636 1/20 0.31
SLC40A1 Q9NP59 1/20 0.31
GAA P10253 1/20 0.30
DYRK1A Q13627 1/20 0.30
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
TYK2 P29597 1/20 0.30
JAK3 P52333 1/20 0.30
DDR1 Q08345 1/20 0.30

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
SCHEMBL29645723 0.91 P2RX7 (0.36) P2RX7TNKSGAA
SCHEMBL29645431 0.90 SLC40A1 (0.35) P2RX7SLC40A1DYRK1A
SCHEMBL29645580 0.89 P2RX7 (0.36) P2RX7MAPTGAA
SCHEMBL29645564 0.89 P2RX7 (0.37) P2RX7TNKSADORA3JAK2JAK1
SCHEMBL29645715 0.88 MAPT (0.39) ADORA3MAPT
SCHEMBL31150091 0.82 P2RX7 (0.35) P2RX7DYRK1A
SCHEMBL29645755 0.82 MAPT (0.40) ADORA3MAPT
SCHEMBL29645546 0.82 MAPT (0.38) ADORA3MAPTGAAJAK2JAK1
SCHEMBL29645469 0.81 P2RX7 (0.36) P2RX7TNKS
SCHEMBL29645518 0.81 C1R (0.38) MAPT

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