SCHEMBL30183249

SCHEMBL30183249

CC1CCN([C@H]2CC[C@H](OCc3csc(NC(=O)c4n[nH]c5c4C(C)(C)Cc4cnc(N)nc4-5)n3)CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 2/20 0.33
▸ F10 P00742 2/20 0.33
▸ CSNK2A1 P68400 1/20 0.31

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
SCHEMBL20649103 1.00 F2 (0.33) F2F10CSNK2A1
SCHEMBL21875606 1.00 F2 (0.33) F2F10CSNK2A1
SCHEMBL23805759 0.94 F2 (0.33) F2F10CSNK2A1
SCHEMBL20648969 0.93 F2 (0.33) F2F10CSNK2A1
SCHEMBL30183123 0.93 F2 (0.33) F2F10CSNK2A1
SCHEMBL30183502 0.93 F2 (0.33) F2F10CSNK2A1
SCHEMBL20649239 0.93 F2 (0.33) F2F10CSNK2A1
SCHEMBL20649044 0.92 F2 (0.33) F2F10CSNK2A1
Hydrochloric Acid SCHEMBL21875668 0.92 F2 (0.33) F2F10CSNK2A1
SCHEMBL30183293 0.92 F2 (0.33) F2F10CSNK2A1

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
CN-110997678-B Pyrazoloquinazoline derivatives as choline kinase inhibitors 内尔维亚诺医疗科学公司 2023-02-21 — — CN claimed
CN-110997678-B Pyrazoloquinazoline derivatives as choline kinase inhibitors 内尔维亚诺医疗科学公司 2023-02-21 — — CN disclosed
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