SCHEMBL31507752

SCHEMBL31507752

Nc1nc2cc(-c3cccc(OCCC(F)(F)C(O)c4ccc(Cl)cc4)c3F)ccn2n1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PIK3CG P48736 11/20 0.34
▸ PIK3CD O00329 9/20 0.34
▸ RIPK1 Q13546 1/20 0.34
▸ TDP2 O95551 2/20 0.33
▸ SCN9A Q15858 1/20 0.31
▸ TNIK Q9UKE5 1/20 0.31
▸ PAK4 O96013 1/20 0.30
▸ JAK1 P23458 1/20 0.30
▸ PIK3CA P42336 1/20 0.30
▸ PIK3CB P42338 1/20 0.30
▸ CSNK1A1 P48729 1/20 0.30
▸ AAK1 Q2M2I8 1/20 0.30
▸ PIP4K2C Q8TBX8 1/20 0.30
▸ CSNK1G1 Q9HCP0 1/20 0.30
▸ AVPR2 P30518 1/20 0.30
▸ AVPR1A P37288 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
SCHEMBL31507835 0.94 RIPK1 (0.36) PIK3CGPIK3CDRIPK1TDP2SCN9A
SCHEMBL31507727 0.93 RIPK1 (0.36) PIK3CGPIK3CDRIPK1SCN9ATNIK
SCHEMBL31507848 0.85 PIK3CG (0.34) PIK3CGPIK3CDRIPK1SCN9ATNIK
SCHEMBL31507729 0.84 PIK3CG (0.35) PIK3CGPIK3CDRIPK1TDP2PAK4
SCHEMBL31507648 0.84 PIK3CG (0.35) PIK3CGPIK3CDRIPK1TDP2TNIK
SCHEMBL31507838 0.84 RIPK1 (0.35) PIK3CGPIK3CDRIPK1SCN9ATNIK
SCHEMBL31507941 0.83 TDP2 (0.32) TDP2
SCHEMBL31507791 0.83 PIK3CG (0.33) PIK3CGPIK3CDRIPK1TDP2SCN9A
SCHEMBL31507615 0.83 PIK3CG (0.37) PIK3CGPIK3CDRIPK1TDP2PAK4
SCHEMBL31507877 0.81 PIK3CG (0.35) PIK3CGPIK3CDRIPK1TNIKPAK4

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-2025072392-A1 TRIAZOLOPYRIDINYL ETHER LINKED COMPOUNDS AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2025-04-03 — — WO disclosed
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