SCHEMBL31613005

SCHEMBL31613005

CCn1nc(N)c(Br)c1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.35
PTGS1 P23219 1/20 0.35
IKBKB O14920 1/20 0.30
MAP3K14 Q99558 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
SCHEMBL31612970 0.83 CNR1 (0.35)
SCHEMBL31612966 0.81 ADORA3 (0.31)
SCHEMBL31612965 0.80
SCHEMBL31612981 0.79
SCHEMBL31612964 0.75 IKBKB (0.32) IKBKBMAP3K14
SCHEMBL31612983 0.70 MAP3K12 (0.33) IKBKBMAP3K14
SCHEMBL16200208 0.70 MAPK1 (0.44) PTGS2PTGS1
SCHEMBL8036850 0.67 CNR1 (0.35)
SCHEMBL28634433 0.67 IKBKB (0.30) IKBKBMAP3K14
SCHEMBL5288008 0.65 GRM2 (0.36)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025119300-A1 MYT1 KINASE INHIBITOR COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 广东东阳光药业股份有限公司 2025-06-12 WO disclosed
CN-120118088-A Myt1 kinase inhibitor compounds, pharmaceutical compositions thereof and uses thereof 广东东阳光药业股份有限公司 2025-06-10 CN disclosed