SCHEMBL22005338

SCHEMBL22005338

CO[C@@H](C)CN1CCN(c2ccc(Nc3ncc4cc5n(c4n3)C3(CCCCC3)CNC5=O)nc2)CC1

nearest known ligand 0.85

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 20/20 0.85
CCNE1 P24864 7/20 0.85
CDK4 P11802 18/20 0.84
CCND1 P24385 18/20 0.84
CCND3 P30281 3/20 0.77
CDK6 Q00534 3/20 0.77
CCNT1 O60563 2/20 0.77
CDK9 P50750 2/20 0.77
TTK P33981 1/20 0.77
FLT3 P36888 1/20 0.77
CCNH P51946 1/20 0.77
NEK10 Q6ZWH5 1/20 0.77
ULK2 Q8IYT8 1/20 0.77
NUAK2 Q9H093 1/20 0.77

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
SCHEMBL15249274 0.92 CDK2 (1.00) CDK2CCNE1CDK4CCND1CCND3
SCHEMBL16074606 0.91 CDK2 (1.00) CDK2CCNE1CDK4CCND1CCND3
SCHEMBL16074644 0.91 CDK2 (1.00) CDK2CCNE1CDK4CCND1CCND3
SCHEMBL16074622 0.90 CDK2 (1.00) CDK2CCNE1CDK4CCND1CCND3
SCHEMBL22005227 0.87 CDK2 (0.84) CDK2CCNE1CDK4CCND1CCND3
Lerociclib SCHEMBL22832157 0.87 CDK2 (1.00) CDK2CCNE1CDK4CCND1CCND3
Lerociclib SCHEMBL16036885 0.87 CDK2 (1.00) CDK2CCNE1CDK4CCND1CCND3
Lerociclib SCHEMBL30175009 0.87 CDK2 (1.00) CDK2CCNE1CDK4CCND1CCND3
Lerociclib SCHEMBL23711495 0.86 CDK2 (0.98) CDK2CCNE1CDK4CCND1CCND3
Lerociclib SCHEMBL29409994 0.86 CDK2 (0.98) CDK2CCNE1CDK4CCND1CCND3

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