SCHEMBL24867248

SCHEMBL24867248

CC(C)Cc1cccc(Nc2ncc(Nc3ccnc(C(F)(F)F)c3)cn2)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDH2 P48735 7/20 0.47
IDH1 O75874 4/20 0.47
SYK P43405 1/20 0.43
ABCB11 O95342 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CHRM1 P11229 1/20 0.42
TBXA2R P21731 1/20 0.42
PTGS1 P23219 1/20 0.42
ADORA1 P30542 1/20 0.42
ADRA1A P35348 1/20 0.42
OPRM1 P35372 1/20 0.42
KDR P35968 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL24866902 0.84 HDAC3 (0.46) SYKKDR
SCHEMBL24866909 0.83 AKT1 (0.42) SYKPTGS1
SCHEMBL24867231 0.83 CFD (0.39) SYK
SCHEMBL24867228 0.81 AKT1 (0.46) SYKKDR
SCHEMBL24867233 0.81 CDK2 (0.43) SYK
SCHEMBL24866903 0.78 CDK5 (0.40) SYK
SCHEMBL24867225 0.75 PTGS1 (0.43) SYKTBXA2RPTGS1
SCHEMBL8181222 0.73 LOXL2 (0.61)
SCHEMBL26115849 0.73 RAPGEF4 (0.43) ADORA1
SCHEMBL24866862 0.72 HDAC3 (0.48) PTGS1KDR

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-2023283488-A9 CDK19-SELECTIVE INHIBITORS, AND METHODS OF USE THEREOF CZ BIOHUB SF, LLC (US) 2023-05-25 WO disclosed
WO-2023283488-A2 CDK19-SELECTIVE INHIBITORS, AND METHODS OF USE THEREOF CHAN ZUCKERBERG BIOHUB, INC. (US) 2023-01-12 WO disclosed