SCHEMBL31728189

SCHEMBL31728189

COc1cnc(Cl)c(F)c1C#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MAPT P10636 3/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ HPGD P15428 2/20 0.36
▸ GAA P10253 2/20 0.35
▸ SRC P12931 2/20 0.34
▸ EGFR P00533 2/20 0.33
▸ ERBB2 P04626 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ SQOR Q9Y6N5 1/20 0.33
▸ TGFBR1 P36897 1/20 0.33
▸ ACVR1 Q04771 1/20 0.33
▸ HPGDS O60760 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP2C9 P11712 1/20 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
SCHEMBL31729263 1.00 MAPK1 (0.39) MAPK1L3MBTL1MAPTKMT2ANPC1
SCHEMBL31727772 0.79 L3MBTL1 (0.39) MAPK1L3MBTL1MAPTKMT2ANPC1
SCHEMBL31727964 0.79 L3MBTL1 (0.39) MAPK1L3MBTL1MAPTKMT2ANPC1
SCHEMBL28808821 0.77 ALDH1A1 (0.36) L3MBTL1MAPTKMT2AKDM4EALDH1A1
SCHEMBL31368737 0.77 KDM4E (0.36) MAPK1L3MBTL1MAPTKMT2ARAB9A
SCHEMBL29149630 0.76 — —
SCHEMBL31368749 0.76 ALDH1A1 (0.36) MAPK1MAPTKMT2AKDM4EALDH1A1
SCHEMBL23751843 0.75 GAA (0.35) MAPK1L3MBTL1MAPTKMT2AKDM4E
SCHEMBL4374319 0.74 PDGFRB (0.35) L3MBTL1MAPTKMT2AKDM4EALDH1A1
SCHEMBL24386895 0.74 ALDH1A1 (0.34) L3MBTL1MAPTKMT2AKDM4EALDH1A1

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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