SCHEMBL28529314

SCHEMBL28529314

COc1cc(N2CCC(N3C[C@H]4CN(C)C[C@H]4C3)CC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccc3nccnc3c2P(C)C)n1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 19/20 0.67
▸ INSR P06213 1/20 0.56
▸ IGF1R P08069 1/20 0.56
▸ ALK Q9UM73 1/20 0.56

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
SCHEMBL28542463 0.93 EGFR (0.68) EGFRINSRIGF1RALK
SCHEMBL28533887 0.92 EGFR (0.70) EGFR
SCHEMBL28530455 0.91 EGFR (0.79) EGFRINSRIGF1RALK
SCHEMBL28531481 0.90 EGFR (0.61) EGFR
SCHEMBL22821976 0.89 EGFR (0.84) EGFRINSRIGF1RALK
SCHEMBL22821819 0.89 EGFR (0.84) EGFRINSRIGF1RALK
SCHEMBL22026205 0.86 EGFR (0.69) EGFRINSRIGF1RALK
SCHEMBL28610266 0.86 EGFR (0.58) EGFRINSRIGF1RALK
SCHEMBL28529250 0.85 EGFR (0.63) EGFRINSRIGF1RALK
SCHEMBL28536021 0.85 EGFR (0.70) EGFR

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
CN-112513029-A Nitrogen-containing aryl phosphorus oxide derivative, preparation method and application thereof 上海翰森生物医药科技有限公司 2021-03-16 — — CN disclosed
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