SCHEMBL24866867

SCHEMBL24866867

CC(C)Cc1ccc(Nc2ncc(Nc3ccncc3C3CC3)cn2)cc1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.36
PTGS2 P35354 4/20 0.36
TP53 P04637 1/20 0.35
ACVR1B P36896 1/20 0.34
TGFBR1 P36897 1/20 0.34
RAB9A P51151 1/20 0.34
ACACB O00763 2/20 0.34
AXL P30530 1/20 0.33
TBK1 Q9UHD2 1/20 0.33
MAPK1 P28482 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
SCHEMBL24867297 0.82 PTGS1 (0.45) PTGS1PTGS2RAB9AACACBMAPK1
SCHEMBL24866872 0.81 PTGS1 (0.45) PTGS1PTGS2ACACB
SCHEMBL24867298 0.81 PTGS1 (0.38) PTGS1PTGS2TGFBR1RAB9AMAPK1
SCHEMBL24867304 0.81 RAB9A (0.40) PTGS1PTGS2TGFBR1RAB9AMAPK1
SCHEMBL24867299 0.81 PDE4A (0.39) ACACB
SCHEMBL24867214 0.80 RAB9A (0.43) PTGS1PTGS2TGFBR1RAB9AACACB
SCHEMBL24867489 0.80 CDK2 (0.38) RAB9AACACBTBK1MAPK1
SCHEMBL24867301 0.80 PDE4A (0.38) ACACB
SCHEMBL24867187 0.79 ACACB (0.38) PTGS1PTGS2TP53RAB9AACACB
SCHEMBL24866865 0.78 CDK1 (0.39) PTGS1PTGS2RAB9A

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