SCHEMBL22005380

SCHEMBL22005380

CCCCN1CCN(c2ccc(Nc3ncc4cc5n(c4n3)C3(CCCCC3)CNC5=O)nc2)C[C@@H]1C

nearest known ligand 0.83

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 20/20 0.83
CCND1 P24385 20/20 0.83
CDK2 P24941 20/20 0.83
CCNE1 P24864 2/20 0.73
CCNT1 O60563 1/20 0.73
CCND3 P30281 1/20 0.73
CDK9 P50750 1/20 0.73
CDK6 Q00534 1/20 0.73

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
SCHEMBL22005377 0.96 CDK4 (0.85) CDK4CCND1CDK2CCNE1CCNT1
SCHEMBL22005678 0.95 CDK4 (0.84) CDK4CCND1CDK2CCNE1CCNT1
SCHEMBL16074641 0.91 CDK4 (1.00) CDK4CCND1CDK2
SCHEMBL16074619 0.91 CDK4 (1.00) CDK4CCND1CDK2
SCHEMBL22005685 0.90 CDK2 (0.70) CDK4CCND1CDK2CCNE1CCNT1
SCHEMBL16076733 0.90 CDK4 (0.99) CDK4CCND1CDK2
SCHEMBL16074602 0.89 CDK4 (1.00) CDK4CCND1CDK2
SCHEMBL22005684 0.89 CDK2 (0.84) CDK4CCND1CDK2CCNE1CCNT1
SCHEMBL22005358 0.89 CDK2 (1.00) CDK4CCND1CDK2CCNE1CCNT1
SCHEMBL16074615 0.89 CDK2 (1.00) CDK4CCND1CDK2CCNE1CCNT1

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