SCHEMBL31728359

SCHEMBL31728359

COc1ncc(-c2cccc(Cl)c2C)c2ncnc(N)c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHB4 P54760 3/20 0.36
▸ PIK3CA P42336 4/20 0.35
▸ PIK3CD O00329 3/20 0.35
▸ PIK3CB P42338 3/20 0.35
▸ PIK3CG P48736 3/20 0.35
▸ PRKDC P78527 3/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ CCR4 P51679 1/20 0.34
▸ KCNJ5 P48544 2/20 0.33
▸ KCNJ3 P48549 2/20 0.33
▸ PDPK1 O15530 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ SRC P12931 3/20 0.33
▸ PDCD1 Q15116 3/20 0.33
▸ CD274 Q9NZQ7 3/20 0.33
▸ ABL1 P00519 2/20 0.33
▸ EGFR P00533 2/20 0.33
▸ HCK P08631 2/20 0.33
▸ MTOR P42345 2/20 0.33
▸ PI4KB Q9UBF8 2/20 0.33

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
SCHEMBL31728766 0.85 PIK3CD (0.38) EPHB4PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL31728800 0.81 CRHR1 (0.39) EPHB4PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL31728730 0.80 PDE5A (0.36) PIK3CAPIK3CDIDO1CCR4PDPK1
SCHEMBL31728395 0.79 PDCD1 (0.35) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL31729194 0.78 EIF2AK3 (0.38) EPHB4PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL31728529 0.77 SRC (0.39) EPHB4PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL31729240 0.76 PIK3CD (0.37) EPHB4PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL31727792 0.75 PDCD1LG2 (0.36) EPHB4PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL31728620 0.74 IDO1 (0.38) EPHB4PIK3CAIDO1CCR4ALDH1A1
SCHEMBL31727895 0.73 PIK3CD (0.38) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC

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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