SCHEMBL31728529

SCHEMBL31728529

COc1cnc(-c2cccc(Cl)c2C)c2ncnc(N)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 4/20 0.39
▸ PIK3CD O00329 3/20 0.39
▸ EPHB4 P54760 2/20 0.39
▸ PIK3CA P42336 2/20 0.39
▸ PIK3CB P42338 2/20 0.39
▸ PIK3CG P48736 2/20 0.39
▸ PRKDC P78527 2/20 0.39
▸ ABL1 P00519 2/20 0.39
▸ EGFR P00533 1/20 0.39
▸ HCK P08631 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ MTOR P42345 1/20 0.39
▸ PI4KB Q9UBF8 1/20 0.39
▸ PDPK1 O15530 1/20 0.37
▸ PDE5A O76074 1/20 0.36
▸ EIF2AK3 Q9NZJ5 2/20 0.35
▸ CTSA P10619 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL31727894 0.83 PIK3CD (0.37) SRCPIK3CDEPHB4PIK3CAPIK3CB
SCHEMBL31728800 0.83 CRHR1 (0.39) SRCPIK3CDEPHB4PIK3CAPIK3CB
SCHEMBL31727769 0.80 GRM2 (0.36) SRCPIK3CDEPHB4PIK3CAPIK3CB
SCHEMBL31727952 0.78 EIF2AK3 (0.42) SRCEPHB4PIK3CBPIK3CGPRKDC
SCHEMBL31729134 0.78 GSK3B (0.41) SRCPIK3CDEPHB4PIK3CAPIK3CB
SCHEMBL31728910 0.77 FYN (0.45) SRCPIK3CDEPHB4PIK3CAPIK3CB
SCHEMBL31728359 0.77 EPHB4 (0.36) SRCPIK3CDEPHB4PIK3CAPIK3CB
SCHEMBL31728766 0.74 PIK3CD (0.38) SRCPIK3CDEPHB4PIK3CAPIK3CB
SCHEMBL31727838 0.73 PDE5A (0.47) SRCPIK3CDEPHB4PIK3CAPIK3CB
SCHEMBL31729240 0.70 PIK3CD (0.37) SRCPIK3CDEPHB4PIK3CAPIK3CB

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
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