SCHEMBL31489232

SCHEMBL31489232

CC(C)(C)C(c1ccc(F)cc1)n1cc(-c2cnccn2)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
NPY5R Q15761 2/20 0.33
HDAC4 P56524 1/20 0.33
GPR55 Q9Y2T6 5/20 0.33
KCNH2 Q12809 1/20 0.33
MKNK1 Q9BUB5 1/20 0.32
CYP17A1 P05093 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RAB9A P51151 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP19A1 P11511 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
BRS3 P32247 1/20 0.31
GRM1 Q13255 1/20 0.31
ACVR1 Q04771 1/20 0.31

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
SCHEMBL31489570 0.81 MKNK1 (0.40) JAK2JAK1TYK2JAK3GPR55
SCHEMBL31489665 0.81 CYP11B2 (0.38)
SCHEMBL31489816 0.73 CYP11B2 (0.40) JAK2JAK1TYK2JAK3
SCHEMBL31489637 0.73 MKNK1 (0.39) JAK2JAK1TYK2JAK3GPR55
SCHEMBL31489553 0.73 CYP11B2 (0.40) JAK2JAK1TYK2JAK3
SCHEMBL31489407 0.72 CHEK1 (0.31)
SCHEMBL31489450 0.72 CHEK1 (0.31)
SCHEMBL31489373 0.70 MKNK1 (0.38) JAK2JAK1TYK2JAK3GPR55
SCHEMBL31489305 0.70 MKNK1 (0.38) JAK2JAK1TYK2JAK3GPR55
SCHEMBL5992577 0.68 CYP2D6 (0.51) NPY5RHDAC4KCNH2NPC1ALDH1A1

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