SCHEMBL31489266

SCHEMBL31489266

CCC(c1ccc(F)cc1)n1cc(-c2cncc(Cl)n2)cn1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 2/20 0.40
JAK2 O60674 11/20 0.37
JAK1 P23458 10/20 0.37
TYK2 P29597 10/20 0.37
JAK3 P52333 10/20 0.37
CYP11B2 P19099 2/20 0.36
CYP11B1 P15538 1/20 0.36
CYP19A1 P11511 1/20 0.33
MKNK1 Q9BUB5 1/20 0.31
KCNK3 O14649 1/20 0.31
DRD2 P14416 1/20 0.31
HTR2A P28223 1/20 0.31
HRH1 P35367 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
SCHEMBL31489438 0.86 CYP17A1 (0.40) CYP17A1JAK2JAK1TYK2JAK3
SCHEMBL31489819 0.86 CYP17A1 (0.40) CYP17A1JAK2JAK1TYK2JAK3
SCHEMBL31489665 0.81 CYP11B2 (0.38) CYP11B2CYP11B1
SCHEMBL31489816 0.81 CYP11B2 (0.40) JAK2JAK1TYK2JAK3CYP11B2
SCHEMBL31489553 0.81 CYP11B2 (0.40) JAK2JAK1TYK2JAK3CYP11B2
SCHEMBL31489183 0.77 JAK2 (0.39) CYP17A1JAK2JAK1TYK2JAK3
SCHEMBL31489249 0.77 JAK2 (0.39) CYP17A1JAK2JAK1TYK2JAK3
SCHEMBL22585811 0.72 CYP17A1 (0.43) CYP17A1JAK2JAK1TYK2JAK3
SCHEMBL31489634 0.72 CYP17A1 (0.43) CYP17A1JAK2JAK1TYK2JAK3
SCHEMBL1464223 0.70 CYP11B2 (0.57) CYP11B2CYP11B1DRD2HTR2AHRH1

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