SCHEMBL31728766

SCHEMBL31728766

Cc1c(Cl)cccc1-c1cnc(Cl)c2c(N)ncnc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 4/20 0.38
▸ PIK3CA P42336 2/20 0.38
▸ PIK3CB P42338 2/20 0.38
▸ PIK3CG P48736 2/20 0.38
▸ PRKDC P78527 2/20 0.38
▸ IDO1 P14902 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ LIMK1 P53667 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ SRC P12931 3/20 0.33
▸ RET P07949 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ DHFR P00374 1/20 0.33
▸ EGFR P00533 2/20 0.33
▸ EPHB4 P54760 1/20 0.32

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
SCHEMBL31728359 0.85 EPHB4 (0.36) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL31729240 0.80 PIK3CD (0.37) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL31728800 0.78 CRHR1 (0.39) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL31727895 0.77 PIK3CD (0.38) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL31727894 0.75 PIK3CD (0.37) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL31729194 0.74 EIF2AK3 (0.38) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL31728529 0.74 SRC (0.39) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL31728528 0.71 IDO1 (0.36) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL31728623 0.71 SMN1; SMN2 (0.39) PIK3CDIDO1ALDH1A1LIMK1RET
SCHEMBL10835918 0.71 IDO1 (0.43) IDO1ALDH1A1KDM4ECNR2SRC

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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