SCHEMBL25423643

SCHEMBL25423643

NC(=O)c1cc(N)c(N2CCCCC2)nc1-c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 11/20 0.51
▸ EGFR P00533 1/20 0.46
▸ TEC P42680 1/20 0.46
▸ EGLN1 Q9GZT9 4/20 0.44
▸ SCN9A Q15858 1/20 0.44
▸ PLAU P00749 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ CHEK2 O96017 1/20 0.41
▸ TNK2 Q07912 1/20 0.41

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
SCHEMBL25423645 0.74 BTK (0.46) BTKEGFR
SCHEMBL19909712 0.73 ALDH1A1 (0.65) BTKALDH1A1LMNATDP1
SCHEMBL19909686 0.72 ALDH1A1 (0.63) BTKSCN9AALDH1A1TDP1
SCHEMBL20998572 0.71 BTK (0.72) BTKEGFRTEC
SCHEMBL16597779 0.70 BTK (0.71) BTKEGFRTECSCN9ACHEK2
SCHEMBL16597947 0.70 BTK (0.70) BTKEGFRTECSCN9ACHEK2
SCHEMBL16597594 0.70 BTK (0.71) BTKEGFRTECSCN9A
SCHEMBL22212893 0.69 SCN9A (0.51) BTKEGFRTECSCN9ACHEK2
SCHEMBL16597863 0.69 BTK (0.55) BTKEGFRTECSCN9ACHEK2
SCHEMBL25649417 0.69 BTK (0.55) BTKEGFRTECSCN9ACHEK2

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-2023104155-A1 LIGAND COMPOUNDS FOR E3 UBIQUITIN LIGASE, PROTEIN DEGRADERS DEVELOPED ON BASIS OF LIGAND COMPOUNDS, AND USES THEREOF 标新生物医药科技(上海)有限公司 2023-06-15 — — WO disclosed
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