SCHEMBL22005383

SCHEMBL22005383

CCCN1[C@H](C)CN(c2ccc(Nc3ncc4cc5n(c4n3)C3(CCCCC3)CNC5=O)nc2)C[C@@H]1C

nearest known ligand 0.89

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 20/20 0.89
CDK4 P11802 19/20 0.89
CCND1 P24385 19/20 0.89
CCNE1 P24864 1/20 0.75

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
SCHEMBL16074621 0.94 CDK2 (1.00) CDK2CDK4CCND1CCNE1
SCHEMBL20968133 0.92 CDK2 (0.99) CDK2CDK4CCND1CCNE1
SCHEMBL16074600 0.92 CDK2 (1.00) CDK2CDK4CCND1CCNE1
SCHEMBL16074657 0.91 CDK2 (1.00) CDK2CDK4CCND1CCNE1
SCHEMBL22005377 0.91 CDK4 (0.85) CDK2CDK4CCND1CCNE1
SCHEMBL16074612 0.90 CDK2 (1.00) CDK2CDK4CCND1CCNE1
SCHEMBL19036384 0.90 CDK2 (1.00) CDK2CDK4CCND1CCNE1
SCHEMBL22005678 0.90 CDK4 (0.84) CDK2CDK4CCND1CCNE1
SCHEMBL16074604 0.89 CDK4 (1.00) CDK2CDK4CCND1
SCHEMBL16074645 0.89 CDK4 (1.00) CDK2CDK4CCND1

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