SCHEMBL31155583

SCHEMBL31155583

Cn1cc(-c2cc(Nc3ncc(Br)c(Nc4cnc5ccccc5c4P(C)(C)=O)n3)c(OCC3CC3)cc2N2CCC(N3CCN(C(=O)OC(C)(C)C)CC3)CC2)cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 20/20 0.52
▸ BTK Q06187 2/20 0.43
▸ CHEK1 O14757 1/20 0.43
▸ AURKA O14965 1/20 0.43
▸ CCNT1 O60563 1/20 0.43
▸ JAK2 O60674 1/20 0.43
▸ RET P07949 1/20 0.43
▸ MET P08581 1/20 0.43
▸ ROS1 P08922 1/20 0.43
▸ PDGFRB P09619 1/20 0.43
▸ KIT P10721 1/20 0.43
▸ PIM1 P11309 1/20 0.43
▸ PDGFRA P16234 1/20 0.43
▸ FER P16591 1/20 0.43
▸ EPHA1 P21709 1/20 0.43
▸ MAPK3 P27361 1/20 0.43
▸ EPHB2 P29323 1/20 0.43
▸ AXL P30530 1/20 0.43
▸ MAPK8 P45983 1/20 0.43
▸ CDK9 P50750 1/20 0.43

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
SCHEMBL31155405 0.95 EGFR (0.58) EGFRBTK
SCHEMBL31155612 0.94 EGFR (0.51) EGFRBTK
SCHEMBL31155425 0.93 EGFR (0.52) EGFRBTK
SCHEMBL31155446 0.93 EGFR (0.52) EGFRBTK
SCHEMBL31155575 0.93 EGFR (0.52) EGFRBTK
SCHEMBL31155533 0.92 EGFR (0.51) EGFRBTK
SCHEMBL31155507 0.92 EGFR (0.51) EGFRBTK
SCHEMBL31155402 0.88 EGFR (0.59) EGFRBTK
SCHEMBL31155413 0.87 EGFR (0.61) EGFRBTKCHEK1AURKAJAK2
SCHEMBL29094583 0.87 EGFR (0.50) EGFRBTK

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-2024217481-A1 EGFR DEGRADING AGENT, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 上海齐鲁制药研究中心有限公司 2024-10-24 — — WO disclosed
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