SCHEMBL31728150

SCHEMBL31728150

O=c1[nH]cnc2c(-c3ccc(F)c(Cl)c3F)nc(N3CCOCC3)nc12

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 1/20 0.38
▸ PIK3CA P42336 11/20 0.37
▸ PIK3CD O00329 1/20 0.36
▸ PIK3CB P42338 1/20 0.36
▸ LRRK2 Q5S007 3/20 0.36
▸ AKT1 P31749 1/20 0.36
▸ MAPK14 Q16539 1/20 0.35
▸ IP6K1 Q92551 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL31729228 0.80 LRRK2 (0.39) PIK3CAPIK3CDPIK3CBLRRK2MEN1
SCHEMBL31728797 0.67 KDM4E (0.43) PIK3CAMEN1KMT2A
SCHEMBL28496580 0.67 PIK3CD (0.54) PIK3CAPIK3CDPIK3CBLRRK2MAPK14
SCHEMBL31727987 0.64 L3MBTL1 (0.43) MEN1KMT2A
SCHEMBL31728909 0.63 PTPN11 (0.32) AKT1
SCHEMBL31728230 0.61 KMT2A (0.35) SRCLRRK2MAPK14KMT2A
SCHEMBL18123516 0.60 CHEK1 (0.37) SRCLRRK2
SCHEMBL30540190 0.60 TSHR (0.51) MEN1KMT2A
SCHEMBL26635221 0.60 TSHR (0.51) MEN1KMT2A
SCHEMBL13257521 0.59 PIK3CA (0.75) PIK3CA

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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