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Sugi Predict / Compounds / SCHEMBL22005685

SCHEMBL22005685

SCHEMBL22005685

C#C[C@H]1CN(c2ccc(Nc3ncc4cc5n(c4n3)C3(CCCCC3)CNC5=O)nc2)CCN1CCCC

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 20/20 0.70
▸ CDK4 P11802 18/20 0.70
▸ CCND1 P24385 18/20 0.70
▸ CCNE1 P24864 4/20 0.70
▸ CCNT1 O60563 1/20 0.70
▸ CCND3 P30281 1/20 0.70
▸ CDK9 P50750 1/20 0.70
▸ CDK6 Q00534 1/20 0.70

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
SCHEMBL22005380 0.90 CDK4 (0.83) CDK2CDK4CCND1CCNE1CCNT1
SCHEMBL22005361 0.90 CDK2 (0.81) CDK2CDK4CCND1CCNE1CCNT1
SCHEMBL22005396 0.90 CDK2 (0.81) CDK2CDK4CCND1CCNE1CCNT1
SCHEMBL22005684 0.87 CDK2 (0.84) CDK2CDK4CCND1CCNE1CCNT1
SCHEMBL22005422 0.86 CDK2 (0.82) CDK2CDK4CCND1CCNE1CCNT1
SCHEMBL22005377 0.86 CDK4 (0.85) CDK2CDK4CCND1CCNE1CCNT1
SCHEMBL22005678 0.85 CDK4 (0.84) CDK2CDK4CCND1CCNE1CCNT1
SCHEMBL22005227 0.84 CDK2 (0.84) CDK2CDK4CCND1CCNE1CCNT1
SCHEMBL22005339 0.83 CDK2 (0.84) CDK2CDK4CCND1CCNE1CCNT1
Trilaciclib SCHEMBL29763763 0.83 CDK2 (1.00) CDK2CDK4CCND1CCNE1CCNT1

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