SCHEMBL26111136

SCHEMBL26111136

O=C(O)N1CC[C@@H](Oc2cc3c(Cl)ncnc3cc2OC2CC2)[C@H](F)C1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 19/20 0.42
▸ ERBB2 P04626 10/20 0.41
▸ RIPK2 O43353 1/20 0.41
▸ RET P07949 1/20 0.41
▸ MET P08581 1/20 0.41
▸ EPHB2 P29323 1/20 0.41
▸ TEC P42680 1/20 0.41
▸ EPHB4 P54760 1/20 0.41
▸ EPHA4 P54764 1/20 0.41
▸ BTK Q06187 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ TNK1 Q13470 1/20 0.41
▸ RIPK3 Q9Y572 1/20 0.41

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
SCHEMBL26109679 0.90 EGFR (0.41) EGFRERBB2RIPK2RETMET
SCHEMBL30590933 0.88 PIK3CD (0.45) EGFRERBB2RIPK2RETMET
SCHEMBL31352779 0.88 PIK3CD (0.45) EGFRERBB2RIPK2RETMET
SCHEMBL27148008 0.82 ENPP1 (0.54) EGFRERBB2RIPK2RETMET
SCHEMBL4087511 0.82 EGFR (0.56) EGFRERBB2RIPK2RETMET
SCHEMBL3129523 0.82 EGFR (0.56) EGFRERBB2RIPK2RETMET
SCHEMBL26112804 0.80 EGFR (0.45) EGFRERBB2
SCHEMBL28983503 0.79 EGFR (0.61) EGFRERBB2RIPK2RETMET
SCHEMBL4091279 0.78 EGFR (0.52) EGFRERBB2
SCHEMBL22590150 0.78 EGFR (0.54) EGFRERBB2

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-2023196283-A1 EGFR INHIBITORS BLUEPRINT MEDICINES CORPORATION (US) 2023-10-12 — — WO disclosed
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