SCHEMBL31367001

SCHEMBL31367001

Cc1ncc(B2OC(C)(C)C(C)(C)O2)cc1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ PDGFRB P09619 2/20 0.35
▸ KDR P35968 2/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ GPR35 Q9HC97 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ DGAT1 O75907 1/20 0.33
▸ AAK1 Q2M2I8 1/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ALPL P05186 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ LPL P06858 1/20 0.32
▸ LIPG Q9Y5X9 1/20 0.32
▸ TSHR P16473 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
SCHEMBL9956488 1.00 GSK3A (0.36) GSK3AGSK3BPDGFRBKDRALDH1A1
SCHEMBL858324 0.84 PDGFRB (0.44) GSK3AGSK3BPDGFRBKDRALDH1A1
SCHEMBL30333864 0.82 ALPL (0.43) GSK3AGSK3BPDGFRBKDRALDH1A1
SCHEMBL796976 0.82 ALPL (0.43) GSK3AGSK3BPDGFRBKDRALDH1A1
SCHEMBL2065910 0.82 GSK3A (0.38) GSK3AGSK3BPDGFRBKDRMAPT
SCHEMBL26833642 0.80 AAK1 (0.41) GSK3AGSK3BPDGFRBKDRALDH1A1
SCHEMBL31482797 0.78 PDGFRB (0.39) GSK3AGSK3BPDGFRBKDRALDH1A1
SCHEMBL30551407 0.76 LPL (0.38) GSK3AGSK3BPDGFRBKDRDGAT1
SCHEMBL1181289 0.76 LPL (0.38) GSK3AGSK3BPDGFRBKDRDGAT1
SCHEMBL4550135 0.76 ALDH1A1 (0.47) ALDH1A1GPR35MAPTLMNASMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025034951-A1 PHARMACEUTICAL COMPOUNDS AND COMPOSITIONS AS C-KIT KINASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2025-02-13 — — WO disclosed
WO-2025024503-A1 PHARMACEUTICAL COMPOUNDS AND COMPOSITIONS AS c-KIT KINASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2025-01-30 — — WO disclosed
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