SCHEMBL29645003

SCHEMBL29645003

CC(C)c1cnc(NC(=O)Cc2cccnc2)s1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 14/20 0.77
CDK2 P24941 14/20 0.77
CDK5 Q00535 12/20 0.77
CDK1 P06493 3/20 0.77
CDK4 P11802 3/20 0.77
CCNB1 P14635 3/20 0.77
CCND1 P24385 3/20 0.77
CCNT1 O60563 1/20 0.77
ALDH1A1 P00352 1/20 0.77
CCNA2 P20248 1/20 0.77
CDK7 P50613 1/20 0.77
CDK9 P50750 1/20 0.77
CCNH P51946 1/20 0.77
MNAT1 P51948 1/20 0.77
CDK5R1 Q15078 1/20 0.77
SMN1; SMN2 Q16637 1/20 0.77
GLS O94925 4/20 0.56
CCNB2 O95067 2/20 0.53
CCNE2 O96020 2/20 0.53
CCNB3 Q8WWL7 2/20 0.53

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
SCHEMBL27549850 1.00 CCNE1 (0.77) CCNE1CDK2CDK5CDK1CDK4
SCHEMBL5483910 0.93 CCNE1 (0.71) CCNE1CDK2CDK5CDK1CDK4
SCHEMBL5476951 0.90 CCNE1 (0.63) CCNE1CDK2CDK5CDK1CDK4
SCHEMBL1535301 0.87 CCNE1 (1.00) CCNE1CDK2CDK5CDK1CDK4
SCHEMBL5481269 0.84 CCNE1 (0.64) CCNE1CDK2CDK5CDK1CDK4
SCHEMBL27586858 0.83 CCNE1 (0.55) CCNE1CDK2CDK5CDK1CDK4
SCHEMBL6286739 0.83 ATG4B (0.64) CCNE1CDK2CDK5CDK1CDK4
SCHEMBL5835963 0.83 CCNE1 (0.58) CCNE1CDK2CDK5CDK1CDK4
SCHEMBL5836011 0.82 CCNE1 (0.76) CCNE1CDK2CDK5CDK1CDK4
SCHEMBL5476972 0.82 CDK2 (0.88) CCNE1CDK2CDK5CDK1CDK4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4256086-A1 METHODS AND SYSTEMS OF STRATIFYING INFLAMMATORY DISEASE PATIENTS Cedars-Sinai Medical Center (US) 2023-10-11 EP disclosed
EP-4162076-A1 TREATMENTS FOR A SUB-POPULATION OF INFLAMMATORY BOWEL DISEASE PATIENTS Cedars-Sinai Medical Center (US) 2023-04-12 EP disclosed
WO-2022119842-A1 METHODS AND SYSTEMS OF STRATIFYING INFLAMMATORY DISEASE PATIENTS CEDARS-SINAI MEDICAL CENTER (US) 2022-06-09 WO disclosed