SCHEMBL31728182

SCHEMBL31728182

C[C@H](Oc1cc(F)c(-c2ccc(F)c(Cl)c2F)c2ncnc(N)c12)c1nc[nH]n1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 13/20 0.35
▸ ALK Q9UM73 3/20 0.34
▸ JAK2 O60674 2/20 0.32
▸ EIF2AK3 Q9NZJ5 1/20 0.31
▸ ABL1 P00519 1/20 0.30
▸ EGFR P00533 1/20 0.30
▸ HCK P08631 1/20 0.30
▸ SRC P12931 1/20 0.30
▸ KDR P35968 1/20 0.30
▸ PIK3CB P42338 1/20 0.30
▸ MTOR P42345 1/20 0.30
▸ PIK3CG P48736 1/20 0.30
▸ EPHB4 P54760 1/20 0.30
▸ PRKDC P78527 1/20 0.30
▸ PI4KB Q9UBF8 1/20 0.30

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
SCHEMBL31728084 1.00 MET (0.35) METALKJAK2EIF2AK3ABL1
SCHEMBL31728571 0.85 MET (0.35) METALKJAK2
SCHEMBL31729165 0.85 MET (0.35) METALKJAK2
SCHEMBL31729300 0.84 MET (0.35) METALKEIF2AK3ABL1EGFR
SCHEMBL31728112 0.84 MET (0.33) METALKEIF2AK3ABL1EGFR
SCHEMBL31727950 0.84 MET (0.33) METALKEIF2AK3ABL1EGFR
SCHEMBL31728507 0.82 MET (0.33) METALKJAK2EIF2AK3ABL1
SCHEMBL31727909 0.82 MET (0.33) METALKJAK2EIF2AK3ABL1
SCHEMBL31729157 0.80 PDE5A (0.39) EIF2AK3ABL1EGFRHCKSRC
SCHEMBL31728453 0.72 CLK1 (0.38) EIF2AK3ABL1EGFRHCKSRC

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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