SCHEMBL17850345

SCHEMBL17850345

CCC[C@H]1CNC(=O)c2cc3cnc(Nc4ccc(N5CCN(C)CC5)cn4)nc3n21

nearest known ligand 0.81

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 18/20 0.81
CCNE1 P24864 15/20 0.81
CDK4 P11802 8/20 0.81
CCND1 P24385 8/20 0.81
CCNT1 O60563 1/20 0.60
CCND3 P30281 1/20 0.60
CDK9 P50750 1/20 0.60
CDK6 Q00534 1/20 0.60

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
SCHEMBL15249256 0.89 CDK2 (1.00) CDK2CCNE1CDK4CCND1CCNT1
SCHEMBL16074640 0.89 CDK2 (1.00) CDK2CCNE1CDK4CCND1CCNT1
SCHEMBL22005395 0.89 CDK2 (1.00) CDK2CCNE1CDK4CCND1CCNT1
SCHEMBL19041991 0.87 CDK2 (0.77) CDK2CCNE1CDK4CCND1CCNT1
SCHEMBL16088343 0.86 CDK2 (1.00) CDK2CCNE1CDK4CCND1CCNT1
SCHEMBL18493781 0.86 CDK2 (1.00) CDK2CCNE1CDK4CCND1CCNT1
SCHEMBL15249258 0.86 CDK2 (1.00) CDK2CCNE1CDK4CCND1CCNT1
SCHEMBL21388256 0.85 CDK2 (0.83) CDK2CCNE1CDK4CCND1CCND3
SCHEMBL15249253 0.85 CDK2 (0.86) CDK2CCNE1CDK4CCND1CCNT1
SCHEMBL15249263 0.84 CDK2 (1.00) CDK2CCNE1CDK4CCND1CCNT1

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-2632467-B1 CDK INHIBITORS G1 THERAPEUTICS INC (US) 2016-06-22 EP disclosed