SCHEMBL24867271

SCHEMBL24867271

c1cc(Nc2cnc(Nc3ccc(C4CCOCC4)cc3)nc2)c(OC2CCCC2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.40
TBK1 Q9UHD2 5/20 0.39
IKBKE Q14164 1/20 0.38
CHEK1 O14757 1/20 0.36
LRRK2 Q5S007 1/20 0.36
CDK1 P06493 1/20 0.36
CDK4 P11802 1/20 0.36
CCNB1 P14635 1/20 0.36
CCND1 P24385 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
KDM4C Q9H3R0 1/20 0.35
KCNH2 Q12809 1/20 0.34
SCN5A Q14524 1/20 0.34
SCN9A Q15858 1/20 0.34
NAMPT P43490 1/20 0.34
HDAC3 O15379 1/20 0.34
CDK9 P50750 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
TTK P33981 1/20 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
SCHEMBL24867251 0.92 CHEK1 (0.39) CHEK1CDK1CDK4CCNB1CCND1
SCHEMBL24867253 0.91 NPY5R (0.38) CHEK1CDK4CCND1CDK2KCNH2
SCHEMBL24867241 0.91 CHEK1 (0.38) CHEK1CDK1CDK4CCNB1CCND1
SCHEMBL24867250 0.91 CHEK1 (0.36) TBK1CHEK1CDK1CDK4CCNB1
SCHEMBL24867279 0.83 SYK (0.45) SYKTBK1KDM4CNAMPTHDAC3
SCHEMBL24867266 0.79 PTK2 (0.39) SYKLRRK2
SCHEMBL24867299 0.77 PDE4A (0.39) CHEK1
SCHEMBL24867301 0.76 PDE4A (0.38) CHEK1CDK2HDAC3CDK9HDAC6
SCHEMBL24867144 0.76 ABL1 (0.38) SYKCHEK1CDK1CDK2
SCHEMBL24866856 0.74 MAP4K1 (0.45) KCNH2SCN5ASCN9ANAMPT

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