SCHEMBL24866908

SCHEMBL24866908

COc1cc(Nc2cnc(Nc3ccc(CC(C)C)cc3)nc2)ccn1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.42
CCNK O75909 1/20 0.42
CCNA2 P20248 1/20 0.42
CDK9 P50750 1/20 0.42
ACACB O00763 3/20 0.41
MAPK1 P28482 2/20 0.37
LOX P28300 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
MAPK3 P27361 1/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
P2RX3 P56373 2/20 0.35
SYK P43405 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
RAB9A P51151 1/20 0.35
PTK2 Q05397 1/20 0.35
KCNH3 Q9ULD8 2/20 0.34

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
SCHEMBL24867233 0.88 CDK2 (0.43) CDK2CCNKCCNA2CDK9MAPK1
SCHEMBL24866862 0.84 HDAC3 (0.48) CDK2MAPK1KDM4EPOLBSMN1; SMN2
SCHEMBL24867179 0.83 MAPK1 (0.37) CDK2ACACBMAPK1KDM4EPOLB
SCHEMBL24867214 0.82 RAB9A (0.43) ACACBMAPK1SMN1; SMN2RAB9AKCNH3
SCHEMBL24867188 0.77 EGFR (0.48) CDK2MAPK1RAB9A
SCHEMBL24867148 0.77 RAB9A (0.40) CDK2CCNA2ACACBMAPK1SMN1; SMN2
SCHEMBL24867187 0.76 ACACB (0.38) CDK2ACACBMAPK1RAB9A
SCHEMBL24866885 0.76 RAB9A (0.52) CDK2CCNKCCNA2CDK9ACACB
SCHEMBL24867244 0.76 RAB9A (0.44) CDK2CCNA2MAPK1KDM4EPOLB
SCHEMBL30130169 0.76 RAB9A (0.52) CDK2CCNKCCNA2CDK9ACACB

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