SCHEMBL29645746

SCHEMBL29645746

O=C1NCCNC[C@H]1Nc1nc2c(C(F)(F)F)cccc2c2nc(-c3ccc(Cl)cc3OC(F)F)nn12

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.30
JAK1 P23458 2/20 0.30
SCN9A Q15858 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
SCHEMBL22988435 1.00 JAK2 (0.30) JAK2JAK1SCN9A
SCHEMBL22988434 0.92 PLAT (0.30)
SCHEMBL29645872 0.92 PLAT (0.30)
SCHEMBL22988429 0.90 ADORA2A (0.34)
SCHEMBL29648590 0.90 ADORA2A (0.34)
SCHEMBL29646197 0.85 NR1H2 (0.37)
SCHEMBL22979156 0.85 NR1H2 (0.37)
SCHEMBL22987657 0.84 TRPC3 (0.35) JAK2JAK1
SCHEMBL22979089 0.82 TACR1 (0.34)
SCHEMBL29648738 0.82 TACR1 (0.34)

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
EP-4013508-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES Bayer Aktiengesellschaft (DE) 2022-06-22 EP 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