SCHEMBL30943207

SCHEMBL30943207

COc1cc(-n2nc3cc(Br)ccc3c2Cl)ccn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAK O14976 2/20 0.36
▸ EGFR P00533 3/20 0.35
▸ MPO P05164 1/20 0.34
▸ CDK4 P11802 1/20 0.33
▸ CCND1 P24385 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ MAT2A P31153 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ LOX P28300 1/20 0.33
▸ LOXL2 Q9Y4K0 1/20 0.33
▸ CYP17A1 P05093 3/20 0.32
▸ EPHB6 O15197 1/20 0.32
▸ RIPK2 O43353 1/20 0.32
▸ STK16 O75716 1/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ ACVR1 Q04771 1/20 0.32
▸ AAK1 Q2M2I8 1/20 0.32
▸ COQ8A Q8NI60 1/20 0.32
▸ NLK Q9UBE8 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL23320397 1.00 GAK (0.36) GAKEGFRMPOCDK4CCND1
SCHEMBL23320390 0.78 CNR1 (0.41) —
SCHEMBL28620742 0.76 MAT2A (0.32) MPOMAT2ACHRM1
SCHEMBL28637402 0.74 ATR (0.39) CYP17A1AAK1GAA
SCHEMBL9910895 0.74 ESR2 (0.50) MPOESR2ALKPTGESGAA
SCHEMBL30943157 0.72 MEN1 (0.40) GAKEGFRMAT2ALOXLOXL2
SCHEMBL23320349 0.72 MEN1 (0.40) GAKEGFRMAT2ALOXLOXL2
SCHEMBL9108281 0.72 ESR2 (0.44) ESR2
SCHEMBL31437852 0.71 LOX (0.40) MAT2ALOXLOXL2CYP17A1CHRM1
SCHEMBL4814314 0.69 ESR2 (0.41) ESR2L3MBTL1

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-112654608-B Fused ring compound having urea structure 桑福德伯纳姆普利斯医学发现研究所 2024-05-07 — — CN disclosed
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