SCHEMBL31707910

SCHEMBL31707910

CC(C)n1cnc2c(N[C@H]3CCN(S(=O)(=O)C4CC4)C3)nc(F)nc21

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 8/20 0.44
CDK9 P50750 3/20 0.44
CDK1 P06493 2/20 0.43
EGFR P00533 9/20 0.42
PIK3CD O00329 1/20 0.38
CCNE1 P24864 5/20 0.38
CCNE2 O96020 4/20 0.38
CCNA2 P20248 3/20 0.38
CCNA1 P78396 3/20 0.38
CCNB1 P14635 1/20 0.37
FLT3 P36888 1/20 0.37
CSNK1E P49674 1/20 0.37
CLK1 P49759 1/20 0.37
CLK2 P49760 1/20 0.37
CDK7 P50613 1/20 0.37
DYRK1A Q13627 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
CCNT1 O60563 1/20 0.36
CCNT2 O60583 1/20 0.36

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
SCHEMBL31707857 0.91 CDK2 (0.45) CDK2CDK9CDK1EGFRCCNE1
SCHEMBL31707884 0.84 CDK2 (0.42) CDK2CDK9CDK1EGFRCCNE1
SCHEMBL31707869 0.84 CDK1 (0.41) CDK1PIK3CD
SCHEMBL31707894 0.83 EGFR (0.47) CDK2CDK9CDK1EGFRCCNE1
SCHEMBL31707915 0.82 CDK2 (0.56) CDK2CDK9CDK1EGFRCCNE1
SCHEMBL3306974 0.82 CDK2 (0.60) CDK2CDK9CDK1CCNE1CCNE2
SCHEMBL3299394 0.80 CDK2 (0.61) CDK2CDK9CDK1CCNE1CCNE2
SCHEMBL31707909 0.80 CDK2 (0.47) CDK2CDK9CDK1EGFRCCNA2
SCHEMBL31707911 0.76 CDK2 (0.42) CDK2CDK9CDK1EGFRCCNE1
SCHEMBL31707854 0.76 CDK2 (0.42) CDK2CDK9CDK1EGFRCCNE1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4634186-A1 2,6,9-TRISUBSTITUTED PURINES Astrazeneca AB (SE) 2025-10-22 EP disclosed