SCHEMBL24816837

SCHEMBL24816837

COc1cc(N2CCC3(CC2)OCCO3)c(C#N)cc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 13/20 0.67
▸ MAP4K1 Q92918 4/20 0.61
▸ INSR P06213 5/20 0.61
▸ IGF1R P08069 5/20 0.61
▸ EGFR P00533 4/20 0.61
▸ BTK Q06187 1/20 0.61

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
SCHEMBL24819291 0.89 ALK (0.69) ALKMAP4K1INSRIGF1REGFR
SCHEMBL24817676 0.88 ALK (0.68) ALKMAP4K1INSRIGF1REGFR
SCHEMBL24818135 0.86 ALK (0.81) ALKINSRIGF1REGFRBTK
SCHEMBL24816761 0.86 MAP4K1 (0.57) ALKMAP4K1INSRIGF1REGFR
SCHEMBL24817933 0.84 ALK (0.82) ALKMAP4K1INSRIGF1REGFR
SCHEMBL24819296 0.81 EGFR (0.52) ALKMAP4K1INSRIGF1REGFR
SCHEMBL17410893 0.80 ALK (1.00) ALKMAP4K1INSRIGF1REGFR
SCHEMBL24817680 0.80 ALK (0.57) ALKMAP4K1INSRIGF1REGFR
SCHEMBL24819279 0.80 ALK (0.58) ALKMAP4K1INSRIGF1REGFR
SCHEMBL17411090 0.79 ALK (0.86) ALKMAP4K1INSRIGF1REGFR

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-2022268229-A1 PROTEIN INHIBITOR OR DEGRADING AGENT, PHARMACEUTICAL COMPOSITION CONTAINING SAME AND PHARMACEUTICAL USE 和径医药科技(上海)有限公司 2022-12-29 — — WO disclosed
Send feedback