SCHEMBL31489553

SCHEMBL31489553

CC(F)(F)[C@@H](c1ccc(F)cc1)n1cc(-c2cncc(Cl)n2)cn1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.40
CYP11B1 P15538 1/20 0.40
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
JAK2 O60674 3/20 0.30
JAK1 P23458 3/20 0.30
TYK2 P29597 3/20 0.30
JAK3 P52333 3/20 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
SCHEMBL31489816 1.00 CYP11B2 (0.40) CYP11B2CYP11B1KDM4ESMN1; SMN2JAK2
SCHEMBL31489665 0.92 CYP11B2 (0.38) CYP11B2CYP11B1KDM4ESMN1; SMN2
SCHEMBL31489450 0.85 CHEK1 (0.31)
SCHEMBL31489407 0.85 CHEK1 (0.31)
SCHEMBL31489637 0.82 MKNK1 (0.39) KDM4ESMN1; SMN2JAK2JAK1TYK2
SCHEMBL31489266 0.81 CYP17A1 (0.40) CYP11B2CYP11B1JAK2JAK1TYK2
SCHEMBL31489758 0.80 CYP11B1 (0.34) CYP11B2CYP11B1
SCHEMBL31489575 0.77 GABRA1 (0.32) JAK2JAK1TYK2JAK3
SCHEMBL31489349 0.77 GABRA1 (0.32) JAK2JAK1TYK2JAK3
SCHEMBL31489235 0.76 CCNE2 (0.33) KDM4ESMN1; SMN2JAK2

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