SCHEMBL31728797

SCHEMBL31728797

CCOC(=O)c1nc(N2CCOCC2)nc(-c2ccc(F)c(Cl)c2F)c1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.42
▸ LMNA P02545 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ DGAT1 O75907 3/20 0.41
▸ SOAT1 P35610 3/20 0.41
▸ TSHR P16473 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ PIK3CA P42336 2/20 0.41
▸ PIK3R1 P27986 1/20 0.41
▸ MTOR P42345 2/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40

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
SCHEMBL31727987 0.86 L3MBTL1 (0.43) KDM4EALDH1A1RXFP1LMNAHPGD
SCHEMBL31728947 0.81 TARBP2 (0.40) KDM4EALDH1A1HPGDALOX15HSD17B10
SCHEMBL2954342 0.71 DGAT1 (0.53) KDM4EALDH1A1RXFP1LMNAHPGD
SCHEMBL31729228 0.70 LRRK2 (0.39) KDM4EALDH1A1HPGDHSD17B10PIK3CA
SCHEMBL25208140 0.69 ALOX15 (0.42) KDM4EALDH1A1HPGDALOX15HSD17B10
SCHEMBL2951241 0.69 KDM4E (0.52) KDM4EALDH1A1ALOX15HSD17B10DGAT1
SCHEMBL17621044 0.68 L3MBTL1 (0.42) KDM4EALDH1A1RXFP1HSD17B10PIK3CA
SCHEMBL25257072 0.67 POLB (0.51) KDM4EALDH1A1LMNAHPGDALOX15
SCHEMBL25229196 0.67 CDC7 (0.43) KDM4EALDH1A1LMNAHPGDALOX15
SCHEMBL31728150 0.67 SRC (0.38) PIK3CAMEN1KMT2A

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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