SCHEMBL23752480

SCHEMBL23752480

CC(C)Nc1cc(NC2CCC(N)CC2)nc2c(C#N)cnn12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 4/20 1.00
▸ MAPKAPK2 P49137 1/20 0.61
▸ GSK3B P49841 1/20 0.61
▸ CSNK2A2 P19784 16/20 0.50
▸ CSNK2B P67870 2/20 0.48
▸ CSNK2A1 P68400 2/20 0.48

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
SCHEMBL21946126 0.77 CCNT1 (0.72) CDK2GSK3BCSNK2A1
SCHEMBL14427569 0.76 CDK2 (1.00) CDK2MAPKAPK2GSK3BCSNK2A2
SCHEMBL21068045 0.76 MAPKAPK2 (0.73) CDK2MAPKAPK2GSK3B
SCHEMBL21067605 0.74 CDK2 (1.00) CDK2CSNK2A2CSNK2A1
SCHEMBL26867735 0.72 CCNT1 (0.56) CDK2MAPKAPK2GSK3BCSNK2A2CSNK2A1
SCHEMBL15288758 0.69 CDK2 (0.64) CDK2CSNK2A2CSNK2BCSNK2A1
SCHEMBL26871380 0.67 CSNK2A1 (0.52) CDK2CSNK2A2CSNK2BCSNK2A1
SCHEMBL29355477 0.67 KDM4E (0.62) CDK2CSNK2A2CSNK2BCSNK2A1
SCHEMBL33377999 0.66 CSNK2B (0.60) CDK2GSK3BCSNK2B
SCHEMBL19742468 0.66 CSNK2A2 (0.57) CDK2GSK3BCSNK2A2CSNK2BCSNK2A1

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 5 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
US-20230279491-A1 TREATMENTS FOR A SUB-POPULATION OF INFLAMMATORY BOWEL DISEASE PATIENTS CEDARS-SINAI MEDICAL CENTER 2023-09-07 — — US 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
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 — — US disclosed
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