SCHEMBL31489349

SCHEMBL31489349

CC(F)(F)C(c1ccc(F)cc1)n1cc(-c2cccc(Br)n2)cn1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA3 P34903 1/20 0.32
JAK2 O60674 8/20 0.32
JAK1 P23458 8/20 0.32
TYK2 P29597 8/20 0.32
JAK3 P52333 8/20 0.32
MKNK1 Q9BUB5 1/20 0.31
PDK2 Q15119 1/20 0.30
RORC P51449 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
SCHEMBL31489575 1.00 GABRA1 (0.32) GABRA1GABRG2GABRB3GABRA3JAK2
SCHEMBL31489347 0.83 CREBBP (0.42)
SCHEMBL31489258 0.83 CREBBP (0.42)
SCHEMBL31489183 0.81 JAK2 (0.39) JAK2JAK1TYK2JAK3MKNK1
SCHEMBL31489249 0.81 JAK2 (0.39) JAK2JAK1TYK2JAK3MKNK1
SCHEMBL31489637 0.80 MKNK1 (0.39) GABRA1GABRG2GABRB3GABRA3JAK2
SCHEMBL31489182 0.80 PDK2 (0.36) PDK2
SCHEMBL31489229 0.80 PDK2 (0.36) PDK2
SCHEMBL31489553 0.77 CYP11B2 (0.40) JAK2JAK1TYK2JAK3
SCHEMBL31489816 0.77 CYP11B2 (0.40) JAK2JAK1TYK2JAK3

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
WO-2025072395-A1 TRIAZOLOPYRIDINYL COMPOUNDS AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2025-04-03 WO disclosed