SCHEMBL31481002

SCHEMBL31481002

Nc1nc2cc(-c3cnn(CC(=O)Nc4ccc(CC(F)(F)F)cc4)c3)ccn2n1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 9/20 0.44
PIK3CD O00329 7/20 0.44
KDR P35968 9/20 0.42
PAK4 O96013 1/20 0.38
JAK1 P23458 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
CSNK1A1 P48729 1/20 0.38
AAK1 Q2M2I8 1/20 0.38
PIP4K2C Q8TBX8 1/20 0.38
CSNK1G1 Q9HCP0 1/20 0.38
FGFR3 P22607 1/20 0.38
ABL1 P00519 1/20 0.38

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
SCHEMBL31481013 0.89 KDR (0.49) PIK3CGPIK3CDKDRPAK4JAK1
SCHEMBL31480964 0.88 KDR (0.44) PIK3CGPIK3CDKDRPAK4JAK1
SCHEMBL31481051 0.87 IKBKE (0.40) PIK3CGPIK3CDKDRPAK4JAK1
SCHEMBL31481116 0.86 PIK3CG (0.38) PIK3CGPIK3CDKDRPAK4JAK1
SCHEMBL31481238 0.85 MEN1 (0.43) PIK3CGPIK3CDKDRPAK4JAK1
SCHEMBL31481173 0.85 PIK3CG (0.42) PIK3CGPIK3CDKDRPAK4JAK1
SCHEMBL31481121 0.84 IKBKE (0.40) PIK3CGPIK3CDKDRPAK4JAK1
SCHEMBL31481044 0.84 CACNA1B (0.43) PIK3CGPIK3CDKDR
SCHEMBL31481142 0.84 PIK3CG (0.41) PIK3CGPIK3CDKDRPAK4JAK1
SCHEMBL31481010 0.83 PIK3CG (0.41) PIK3CGPIK3CDKDRPAK4JAK1

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-2025054339-A1 TRIAZOLOPYRIDINE COMPOUNDS AS INHIBITORS OF KIT ARCUS BIOSCIENCES, INC. (US) 2025-03-13 WO disclosed