SCHEMBL30183083

SCHEMBL30183083

CC1(C)Cc2cnc(N)nc2-c2[nH]nc(C(=O)Nc3nc(CC(=O)N4CCC(N5CCC(F)(F)CC5)CC4)cs3)c21

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.44
F10 P00742 4/20 0.44
CSNK2A1 P68400 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
SCHEMBL20649261 1.00 F2 (0.44) F2F10CSNK2A1
SCHEMBL20648997 0.95 F2 (0.45) F2F10CSNK2A1
Hydrochloric Acid SCHEMBL21875633 0.94 F2 (0.44) F2F10CSNK2A1
Hydrochloric Acid SCHEMBL30183490 0.94 F2 (0.44) F2F10CSNK2A1
SCHEMBL20649192 0.94 F2 (0.46) F2F10CSNK2A1
SCHEMBL30183266 0.94 F2 (0.46) F2F10CSNK2A1
SCHEMBL30183940 0.93 F2 (0.45) F2F10CSNK2A1
SCHEMBL20649396 0.93 F2 (0.45) F2F10CSNK2A1
SCHEMBL20649319 0.93 F2 (0.45) F2F10CSNK2A1
SCHEMBL30183178 0.93 F2 (0.45) 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