SCHEMBL22005227

SCHEMBL22005227

CCCN1CCN(c2ccc(Nc3ncc4cc5n(c4n3)C3(CCCCC3)CNC5=O)nc2)CC1

nearest known ligand 0.84

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 20/20 0.84
CDK4 P11802 18/20 0.84
CCND1 P24385 18/20 0.84
CCNE1 P24864 7/20 0.84
CCND3 P30281 3/20 0.84
CDK6 Q00534 3/20 0.84
CCNT1 O60563 2/20 0.84
CDK9 P50750 2/20 0.84
TTK P33981 1/20 0.78
FLT3 P36888 1/20 0.78
CCNH P51946 1/20 0.78
NEK10 Q6ZWH5 1/20 0.78
ULK2 Q8IYT8 1/20 0.78
NUAK2 Q9H093 1/20 0.78

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
SCHEMBL22005339 0.99 CDK2 (0.84) CDK2CDK4CCND1CCNE1CCND3
SCHEMBL22005684 0.95 CDK2 (0.84) CDK2CDK4CCND1CCNE1CCND3
Trilaciclib SCHEMBL29763763 0.91 CDK2 (1.00) CDK2CDK4CCND1CCNE1CCND3
Trilaciclib SCHEMBL10082028 0.91 CDK2 (1.00) CDK2CDK4CCND1CCNE1CCND3
Trilaciclib SCHEMBL29356370 0.91 CDK2 (1.00) CDK2CDK4CCND1CCNE1CCND3
SCHEMBL16074631 0.91 CDK2 (1.00) CDK2CDK4CCND1CCNE1CCND3
SCHEMBL16074630 0.91 CDK2 (1.00) CDK2CDK4CCND1CCNE1CCND3
Trilaciclib SCHEMBL29514690 0.90 CDK2 (0.98) CDK2CDK4CCND1CCNE1CCND3
Trilaciclib SCHEMBL29375833 0.90 CDK2 (0.98) CDK2CDK4CCND1CCNE1CCND3
SCHEMBL4549924 0.90 CDK2 (1.00) CDK2CDK4CCND1CCNE1CCND3

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-3653209-A1 TRANSIENT PROTECTION OF NORMAL CELLS DURING CHEMOTHERAPY G1 Therapeutics, Inc. (US) 2020-05-20 EP disclosed