SCHEMBL31250340

SCHEMBL31250340

COc1ncncc1C1CNC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ SSTR4 P31391 3/20 0.34
▸ EGFR P00533 2/20 0.33
▸ CHRNB4 P30926 3/20 0.33
▸ CHRNA3 P32297 3/20 0.33
▸ CHRNB2 P17787 3/20 0.33
▸ CHRNA4 P43681 3/20 0.33
▸ CHRNA7 P36544 2/20 0.33
▸ CHRNA1 P02708 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ CHRNG P07510 1/20 0.33
▸ CHRNB1 P11230 1/20 0.33
▸ CHRNA5 P30532 1/20 0.33
▸ HTR3A P46098 1/20 0.33
▸ CHRND Q07001 1/20 0.33
▸ CHRNA2 Q15822 1/20 0.33
▸ PDPK1 O15530 1/20 0.32
▸ OGA O60502 1/20 0.30

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
SCHEMBL25305763 1.00 HTR2A (0.39) HTR2AHTR2CSSTR4EGFRCHRNB4
SCHEMBL31618413 0.84 SSTR4 (0.42) SSTR4EGFRPDPK1OGA
SCHEMBL25259343 0.73 CHRNB2 (0.35) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7
SCHEMBL30527729 0.72 CHEK1 (0.34) EGFRCHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL25306038 0.72 CHEK1 (0.34) EGFRCHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL31654140 0.69 HTR2C (0.46) HTR2AHTR2CCHRNB4CHRNA3CHRNB2
SCHEMBL31581935 0.69 HTR2C (0.46) HTR2AHTR2CCHRNB4CHRNA3CHRNB2
SCHEMBL25308469 0.68 HTR2A (0.38) HTR2AHTR2CCHRNB4CHRNA3CHRNB2
SCHEMBL22122009 0.68 HTR2A (0.38) HTR2AHTR2CCHRNB4CHRNA3CHRNB2
SCHEMBL31250394 0.68 HTR2A (0.38) HTR2AHTR2CCHRNB4CHRNA3CHRNB2

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-118804917-A STAT modulators and uses thereof 瑞克鲁迪克斯制药股份有限公司 2024-10-18 — — CN disclosed
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