SCHEMBL30183032

SCHEMBL30183032

CC1(C)Cc2cnc(N)nc2-c2[nH]nc(C(=O)Nc3nc(CC(=O)N4CC[C@H](O)C4)cs3)c21

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.37
F10 P00742 4/20 0.37
CSNK2A1 P68400 1/20 0.34
ATR Q13535 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
SCHEMBL21875625 1.00 F2 (0.37) F2F10CSNK2A1ATR
SCHEMBL21875670 1.00 F2 (0.37) F2F10CSNK2A1ATR
SCHEMBL30183504 1.00 F2 (0.37) F2F10CSNK2A1ATR
SCHEMBL20649083 0.96 F2 (0.40) F2F10CSNK2A1
SCHEMBL30183053 0.96 F2 (0.40) F2F10CSNK2A1
SCHEMBL20649080 0.92 F2 (0.36) F2F10CSNK2A1
SCHEMBL20649306 0.92 F2 (0.36) F2F10CSNK2A1
SCHEMBL20649218 0.92 F2 (0.40) F2F10CSNK2A1
SCHEMBL21954004 0.92 F2 (0.40) F2F10CSNK2A1
SCHEMBL30183137 0.92 F2 (0.40) 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