SCHEMBL28908567

SCHEMBL28908567

COc1cc(N2CCC(N3CCN(C)CC3)CC2)c(C#C[Si](C)(C)C)cc1Nc1ncc(Cl)c(Nc2ccc3nccnc3c2P(C)C)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 10/20 0.54
▸ ALK Q9UM73 11/20 0.53
▸ INSR P06213 10/20 0.53
▸ IGF1R P08069 10/20 0.53
▸ CHEK1 O14757 1/20 0.49
▸ AURKA O14965 1/20 0.49
▸ NUAK1 O60285 1/20 0.49
▸ JAK2 O60674 1/20 0.49
▸ STK10 O94804 1/20 0.49
▸ PRKD3 O94806 1/20 0.49
▸ SLC34A2 O95436 1/20 0.49
▸ CHEK2 O96017 1/20 0.49
▸ ABL1 P00519 1/20 0.49
▸ CD74 P04233 1/20 0.49
▸ ERBB2 P04626 1/20 0.49
▸ LCK P06239 1/20 0.49
▸ FYN P06241 1/20 0.49
▸ FES P07332 1/20 0.49
▸ CSF1R P07333 1/20 0.49
▸ YES1 P07947 1/20 0.49

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
SCHEMBL28529304 0.93 EGFR (0.64) EGFR
SCHEMBL28529546 0.92 EGFR (0.56) EGFRALKINSRIGF1RCHEK1
SCHEMBL22821735 0.89 EGFR (0.69) EGFRALKINSRIGF1RCHEK1
SCHEMBL28529250 0.88 EGFR (0.63) EGFRALKINSRIGF1RCHEK1
SCHEMBL30626529 0.88 EGFR (0.57) EGFRALKINSRIGF1RCHEK1
SCHEMBL28524763 0.88 EGFR (0.57) EGFRALKINSRIGF1RCHEK1
SCHEMBL23442865 0.85 EGFR (0.68) EGFRALKINSRIGF1RCHEK1
SCHEMBL26906805 0.84 EGFR (0.68) EGFR
SCHEMBL28538584 0.84 EGFR (0.66) EGFRALKINSRIGF1R
SCHEMBL28533927 0.84 EGFR (0.66) 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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