SCHEMBL31728810

SCHEMBL31728810

CC(Oc1ccc(-c2ccc(F)c(Cl)c2F)c2ncnc(N)c12)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ HTR2B P41595 1/20 0.42
▸ MAP4K4 O95819 2/20 0.38
▸ PTGDR2 Q9Y5Y4 4/20 0.34
▸ PTGDR Q13258 1/20 0.34
▸ MET P08581 5/20 0.34
▸ BTK Q06187 3/20 0.33
▸ FYN P06241 1/20 0.33
▸ SRC P12931 1/20 0.33
▸ TEC P42680 1/20 0.33
▸ ITK Q08881 1/20 0.33
▸ KMT2A Q03164 2/20 0.32
▸ PPARG P37231 2/20 0.32
▸ PPARD Q03181 1/20 0.32
▸ PPARA Q07869 1/20 0.32
▸ EIF2AK3 Q9NZJ5 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
SCHEMBL31727766 0.89 ESR1 (0.36) METBTKFYNSRCTEC
SCHEMBL31728213 0.82 EIF2AK3 (0.38) HTR2AHTR2CHTR2BBTKFYN
SCHEMBL31728243 0.78 MET (0.34) HTR2AMETSRC
SCHEMBL31729172 0.78 MET (0.37) METSRC
SCHEMBL31728762 0.78 ALK (0.39) METEIF2AK3
SCHEMBL31729163 0.76 CLK1 (0.37) MAP4K4SRC
SCHEMBL31728591 0.73 EIF2AK3 (0.39) MAP4K4BTKFYNSRCTEC
SCHEMBL31728133 0.72 CLK1 (0.36) MAP4K4BTKFYNSRCEIF2AK3
SCHEMBL31728618 0.72 CLK1 (0.36) SRCEIF2AK3
SCHEMBL31728018 0.72 CLK1 (0.36) MAP4K4SRCPPARGEIF2AK3

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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