SCHEMBL31489382

SCHEMBL31489382

CC(F)(F)[C@@H](c1ccc(F)cc1)n1cc(-c2cccc(-c3ccn4nc(N)nc4c3F)c2F)cn1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 8/20 0.36
NTRK1 P04629 1/20 0.32
PIK3CD O00329 2/20 0.31
PIK3CA P42336 2/20 0.31
PIK3CG P48736 2/20 0.31
NUDT1 P36639 1/20 0.31
PDK2 Q15119 2/20 0.31
JAK3 P52333 1/20 0.30
PTK2 Q05397 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
SCHEMBL31489809 0.95 JAK2 (0.35) JAK2NTRK1PIK3CDPIK3CAPIK3CG
SCHEMBL31489222 0.95 JAK2 (0.35) JAK2NTRK1PIK3CDPIK3CAPIK3CG
SCHEMBL31489342 0.92 JAK2 (0.36) JAK2PIK3CDPIK3CAPIK3CGPDK2
SCHEMBL31489877 0.92 JAK2 (0.36) JAK2PIK3CDPIK3CAPIK3CGPDK2
SCHEMBL31489223 0.88 PIK3CG (0.39) NTRK1PIK3CDPIK3CAPIK3CGPDK2
SCHEMBL31489507 0.88 PIK3CG (0.39) NTRK1PIK3CDPIK3CAPIK3CGPDK2
SCHEMBL31489510 0.88 PIK3CD (0.38) JAK2NTRK1PIK3CDPIK3CGPDK2
Trifluoroacetic Acid SCHEMBL31489768 0.87 JAK2 (0.34) JAK2PIK3CDPIK3CAPIK3CG
SCHEMBL31489586 0.87 CREBBP (0.39) JAK2NTRK1PIK3CDPIK3CAPIK3CG
SCHEMBL31489461 0.87 PIK3CD (0.32) JAK2PIK3CDPIK3CAPIK3CG

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