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SCHEMBL22005358

SCHEMBL22005358

CC1CN(c2ccc(Nc3ncc4cc5n(c4n3)C3(CCCCC3)CNC5=O)nc2)CCN1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 20/20 1.00
▸ CDK4 P11802 19/20 1.00
▸ CCND1 P24385 19/20 1.00
▸ CCNE1 P24864 3/20 0.81
▸ CCNT1 O60563 1/20 0.81
▸ CCND3 P30281 1/20 0.81
▸ CDK9 P50750 1/20 0.81
▸ CDK6 Q00534 1/20 0.81

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
SCHEMBL16074615 1.00 CDK2 (1.00) CDK2CDK4CCND1CCNE1CCNT1
SCHEMBL16074597 1.00 CDK2 (1.00) CDK2CDK4CCND1CCNE1CCNT1
SCHEMBL16074600 0.92 CDK2 (1.00) CDK2CDK4CCND1CCNE1CCNT1
SCHEMBL22005377 0.90 CDK4 (0.85) CDK2CDK4CCND1CCNE1CCNT1
SCHEMBL16074642 0.90 CDK4 (1.00) CDK2CDK4CCND1CCNE1CCNT1
SCHEMBL16074598 0.90 CDK4 (1.00) CDK2CDK4CCND1CCNE1CCNT1
SCHEMBL16074646 0.90 CDK4 (1.00) CDK2CDK4CCND1CCNE1CCNT1
Trilaciclib SCHEMBL10082028 0.90 CDK2 (1.00) CDK2CDK4CCND1CCNE1CCNT1
Trilaciclib SCHEMBL29356370 0.90 CDK2 (1.00) CDK2CDK4CCND1CCNE1CCNT1
Trilaciclib SCHEMBL29763763 0.90 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