SCHEMBL26517857

SCHEMBL26517857

CC(C)c1cnn2c(Nc3cccc(N)c3)cc(NC3CCCCC3)nc12

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 16/20 0.56
▸ GSK3B P49841 5/20 0.56
▸ CDK9 P50750 3/20 0.46
▸ CDK7 P50613 5/20 0.45
▸ CCNE1 P24864 3/20 0.45
▸ CCNH P51946 3/20 0.45
▸ MNAT1 P51948 3/20 0.45
▸ MAPKAPK2 P49137 2/20 0.44
▸ CSNK2B P67870 1/20 0.43
▸ CDK1 P06493 2/20 0.42
▸ CCNT1 O60563 1/20 0.42
▸ CDK4 P11802 1/20 0.42
▸ CCNB1 P14635 1/20 0.42
▸ CCND1 P24385 1/20 0.42
▸ CDK8 P49336 1/20 0.42
▸ CDK6 Q00534 1/20 0.42
▸ CDK5 Q00535 1/20 0.42
▸ CDK5R1 Q15078 1/20 0.42
▸ CSNK2A2 P19784 1/20 0.41

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
SCHEMBL18122643 0.89 CDK2 (0.59) CDK2GSK3BCDK9MAPKAPK2CSNK2B
SCHEMBL20549682 0.89 CDK2 (0.59) CDK2GSK3BCDK9MAPKAPK2CSNK2B
SCHEMBL20549680 0.89 CDK2 (0.59) CDK2GSK3BCDK9MAPKAPK2CSNK2B
SCHEMBL21473082 0.89 CDK2 (0.59) CDK2GSK3BCDK9MAPKAPK2CSNK2B
SCHEMBL33377999 0.82 CSNK2B (0.60) CDK2GSK3BCDK9CDK7CCNE1
SCHEMBL18122642 0.80 CDK2 (0.42) CDK2GSK3BCDK9CDK7CCNE1
SCHEMBL14427397 0.79 CDK2 (0.84) CDK2GSK3BCDK9CCNE1CDK1
SCHEMBL21741557 0.78 CDK2 (0.63) CDK2GSK3BCDK9CDK7CCNE1
SCHEMBL20286069 0.75 CDK2 (0.53) CDK2GSK3BCDK9CDK7CCNH
SCHEMBL20549736 0.74 CDK2 (0.48) CDK2GSK3BMAPKAPK2CSNK2BCSNK2A2

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-3273966-B1 INHIBITORS OF CYCLIN-DEPENDENT KINASES DANA FARBER CANCER INST INC (US) 2023-05-03 — — EP disclosed
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