SCHEMBL31489779

SCHEMBL31489779

Cc1ccc(C)n1-c1nc2c(F)cc(-c3cncc(Cl)n3)cn2n1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 7/20 0.43
CYP11B1 P15538 5/20 0.43
PIK3CB P42338 2/20 0.33
PIK3CG P48736 2/20 0.33
PIK3CD O00329 1/20 0.33
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 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
SCHEMBL31489910 0.75 CYP11B2 (0.37) CYP11B2CYP11B1PIK3CBPIK3CGPIK3CD
SCHEMBL31489173 0.74 CYP11B1 (0.31) CYP11B2CYP11B1PIK3CBPIK3CGPIK3CD
SCHEMBL31489569 0.73 KDM4E (0.30)
SCHEMBL31489321 0.72 KDM4E (0.40) CYP11B2
SCHEMBL31489274 0.70
SCHEMBL31403018 0.66 CYP11B2 (0.69) CYP11B2CYP11B1ALDH1A1
SCHEMBL31489938 0.65 PDE10A (0.41) ALDH1A1
SCHEMBL31489331 0.65 KDM4E (0.37)
SCHEMBL31489562 0.65 KDM4E (0.37)
SCHEMBL16747922 0.62 CYP11B2 (0.39) CYP11B2CYP11B1

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