SCHEMBL23044816

SCHEMBL23044816

COc1cc(N2CCC(N3CCN(CC(=O)O)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 20/20 0.81
▸ INSR P06213 19/20 0.81
▸ IGF1R P08069 19/20 0.81
▸ AURKA O14965 2/20 0.81
▸ ROS1 P08922 2/20 0.81
▸ EML4 Q9HC35 2/20 0.81
▸ CHEK1 O14757 1/20 0.81
▸ NUAK1 O60285 1/20 0.81
▸ JAK2 O60674 1/20 0.81
▸ STK10 O94804 1/20 0.81
▸ PRKD3 O94806 1/20 0.81
▸ SLC34A2 O95436 1/20 0.81
▸ CHEK2 O96017 1/20 0.81
▸ ABL1 P00519 1/20 0.81
▸ EGFR P00533 1/20 0.81
▸ CD74 P04233 1/20 0.81
▸ ERBB2 P04626 1/20 0.81
▸ LCK P06239 1/20 0.81
▸ FYN P06241 1/20 0.81
▸ FES P07332 1/20 0.81

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
SCHEMBL11916453 0.92 INSR (0.85) ALKINSRIGF1RAURKAROS1
SCHEMBL11916541 0.91 ALK (0.93) ALKINSRIGF1RAURKAROS1
SCHEMBL15217783 0.90 INSR (0.84) ALKINSRIGF1RAURKAROS1
SCHEMBL30761549 0.90 ALK (0.84) ALKINSRIGF1RAURKAROS1
SCHEMBL21133482 0.90 ALK (0.84) ALKINSRIGF1RAURKAROS1
SCHEMBL11916613 0.90 ALK (0.87) ALKINSRIGF1RAURKAROS1
Brigatinib SCHEMBL29350096 0.89 ALK (1.00) ALKINSRIGF1RAURKAROS1
Brigatinib SCHEMBL11916361 0.89 ALK (1.00) ALKINSRIGF1RAURKAROS1
Brigatinib SCHEMBL29432539 0.89 ALK (1.00) ALKINSRIGF1RAURKAROS1
SCHEMBL11916537 0.89 INSR (1.00) ALKINSRIGF1RAURKAROS1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4019021-A1 COMPOUND INHIBITING AND INDUCING DEGRADATION OF EGFR AND ALK Beijing Tide Pharmaceutical Co., Ltd. (CN) 2022-06-29 — — EP disclosed
CN-114286678-A Compounds for inhibiting and inducing degradation of EGFR and ALK 北京泰德制药股份有限公司 2022-04-05 — — CN disclosed
WO-2021036922-A1 COMPOUND INHIBITING AND INDUCING DEGRADATION OF EGFR AND ALK 北京泰德制药股份有限公司 2021-03-04 — — WO disclosed
WO-2021036922-A1 COMPOUND INHIBITING AND INDUCING DEGRADATION OF EGFR AND ALK 北京泰德制药股份有限公司 2021-03-04 — — WO disclosed
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