SCHEMBL30164940

SCHEMBL30164940

COC(=O)C1CN(c2ncc(C(C)C)c3cc(Cl)ncc23)C1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 9/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ LMNA P02545 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ LPAR1 Q92633 2/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ OPRK1 P41145 2/20 0.33
▸ ACACB O00763 2/20 0.33
▸ ATR Q13535 1/20 0.32
▸ ATRIP Q8WXE1 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
SCHEMBL24826754 1.00 EGFR (0.40) EGFRSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL24824609 0.87 EGFR (0.40) EGFRMEN1KMT2AKDM4E
SCHEMBL30848800 0.87 EGFR (0.40) EGFRMEN1KMT2AKDM4E
SCHEMBL30848806 0.86 EGFR (0.51) EGFRLPAR1CYP2C9ATRATRIP
SCHEMBL24825129 0.86 EGFR (0.51) EGFRLPAR1CYP2C9ATRATRIP
SCHEMBL24826464 0.85 EGFR (0.50) EGFR
SCHEMBL30848835 0.85 EGFR (0.50) EGFR
SCHEMBL24824597 0.84 EGFR (0.39) EGFRSMN1; SMN2LPAR1CYP2C9OPRK1
SCHEMBL30164839 0.84 EGFR (0.39) EGFRSMN1; SMN2LPAR1CYP2C9OPRK1
SCHEMBL24826755 0.84 EGFR (0.39) EGFRLPAR1CYP2C9OPRK1

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-2022271612-A1 HETEROCYCLIC EGFR INHIBITORS FOR USE IN THE TREATMENT OF CANCER BLUEPRINT MEDICINES CORPORATION (US) 2022-12-29 — — WO disclosed
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