SCHEMBL31728352

SCHEMBL31728352

Cn1cnc(COc2c(C#N)cc(-c3ccc(F)c(Cl)c3F)c3ncnc(N)c23)n1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 2/20 0.34
▸ ABL1 P00519 2/20 0.34
▸ EGFR P00533 2/20 0.34
▸ HCK P08631 2/20 0.34
▸ SRC P12931 2/20 0.34
▸ KDR P35968 2/20 0.34
▸ PIK3CA P42336 2/20 0.34
▸ PIK3CB P42338 2/20 0.34
▸ MTOR P42345 2/20 0.34
▸ PIK3CG P48736 2/20 0.34
▸ EPHB4 P54760 2/20 0.34
▸ PRKDC P78527 2/20 0.34
▸ LRRK2 Q5S007 2/20 0.32
▸ NSD2 O96028 2/20 0.32
▸ NSD3 Q9BZ95 2/20 0.32
▸ KDM1A O60341 1/20 0.31
▸ EIF2AK3 Q9NZJ5 1/20 0.31
▸ KHK P50053 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
SCHEMBL31728912 0.85 NSD2 (0.35) PIK3CDPIK3CAPIK3CBPIK3CGEPHB4
SCHEMBL31728436 0.84 PIK3CD (0.37) PIK3CDABL1EGFRHCKSRC
SCHEMBL31727822 0.82 EIF2AK3 (0.31) EIF2AK3
SCHEMBL31728546 0.82 — —
SCHEMBL31728414 0.82 — —
SCHEMBL31727929 0.82 KHK (0.37) PIK3CDABL1EGFRHCKSRC
SCHEMBL31727944 0.80 KHK (0.38) PIK3CDABL1EGFRHCKSRC
SCHEMBL31728886 0.76 KDR (0.34) PIK3CDABL1EGFRHCKSRC
SCHEMBL31728772 0.75 KHK (0.39) PIK3CDABL1EGFRHCKSRC
SCHEMBL31728549 0.74 MET (0.33) PIK3CDABL1EGFRHCKSRC

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-2025235874-A1 HETEROCYCLICS AS EGFR INHIBITORS SCHRÖDINGER, INC. (US) 2025-11-13 — — WO disclosed
Send feedback