SCHEMBL31707884

SCHEMBL31707884

CC(C)n1cnc2c(N[C@H]3CCN(S(=O)(=O)c4cn(C)cn4)C3)nc(F)nc21

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 7/20 0.42
CDK9 P50750 4/20 0.42
CCND1 P24385 4/20 0.42
CCNE1 P24864 4/20 0.42
CDK6 Q00534 4/20 0.42
CDK1 P06493 3/20 0.42
CCNT1 O60563 2/20 0.42
CDK4 P11802 2/20 0.42
CCNB1 P14635 2/20 0.42
CCND3 P30281 2/20 0.42
CDK7 P50613 2/20 0.42
CCNH P51946 2/20 0.42
MNAT1 P51948 2/20 0.42
EGFR P00533 4/20 0.41
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.40
TP53 P04637 3/20 0.40
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38

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
SCHEMBL31707894 0.85 EGFR (0.47) CDK2CDK9CCND1CCNE1CDK6
SCHEMBL31707857 0.85 CDK2 (0.45) CDK2CDK9CCND1CCNE1CDK6
SCHEMBL30898420 0.84 CDK2 (0.66) CDK2CDK9CCND1CCNE1CDK6
SCHEMBL31707910 0.84 CDK2 (0.44) CDK2CDK9CCNE1CDK1CCNT1
SCHEMBL3306974 0.77 CDK2 (0.60) CDK2CDK9CCNE1CDK1CCNT1
SCHEMBL3299394 0.75 CDK2 (0.61) CDK2CDK9CCNE1CDK1CCNT1
SCHEMBL31707909 0.74 CDK2 (0.47) CDK2CDK9CCND1CDK6CDK1
SCHEMBL31707854 0.71 CDK2 (0.42) CDK2CDK9CCNE1CDK1CCNT1
SCHEMBL31707911 0.71 CDK2 (0.42) CDK2CDK9CCNE1CDK1CCNT1
SCHEMBL31707903 0.70 CLK1 (0.56) CDK2CDK9CCNE1CDK1CCNT1

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