SCHEMBL18229934

SCHEMBL18229934

CN(C)CC=CC(=O)Nc1ccc(C(=O)Nc2cccc(Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK7 P50613 18/20 1.00
CCNH P51946 17/20 1.00
CDK5 Q00535 4/20 1.00
CDK5R1 Q15078 3/20 1.00
CDK1 P06493 2/20 1.00
CDK2 P24941 2/20 1.00
CDK9 P50750 2/20 1.00
MNAT1 P51948 2/20 1.00
CDK13 Q14004 2/20 1.00
MAP3K11 Q16584 2/20 1.00
CDK12 Q9NYV4 2/20 1.00
CCNT1 O60563 1/20 1.00
CCNK O75909 1/20 1.00
CCNB1 P14635 1/20 1.00
CCNA2 P20248 1/20 1.00
MAPK8 P45983 1/20 1.00
MAPK9 P45984 1/20 1.00
CDK8 P49336 1/20 0.91

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
SCHEMBL14979765 1.00 CDK7 (1.00) CDK7CCNHCDK5CDK5R1CDK1
SCHEMBL29434968 1.00 CDK7 (1.00) CDK7CCNHCDK5CDK5R1CDK1
SCHEMBL23682983 1.00 CDK7 (1.00) CDK7CCNHCDK5CDK5R1CDK1
SCHEMBL29355500 1.00 CDK7 (1.00) CDK7CCNHCDK5CDK5R1CDK1
Hydrochloric Acid SCHEMBL29867414 0.99 CDK7 (0.99) CDK7CCNHCDK5CDK5R1CDK1
SCHEMBL18313531 0.95 CDK7 (0.94) CDK7CCNHCDK5CDK5R1CDK1
SCHEMBL30337868 0.95 CDK7 (1.00) CDK7CCNHCDK5CDK5R1CDK1
SCHEMBL18313553 0.95 CDK7 (1.00) CDK7CCNHCDK5CDK5R1CDK1
SCHEMBL29355486 0.95 CDK7 (1.00) CDK7CCNHCDK5CDK5R1CDK1
SCHEMBL18313499 0.95 CDK7 (1.00) CDK7CCNHCDK5CDK5R1CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112716957-A Application of CDK7 targeted inhibitor in preparation of medicine for treating cytokine release syndrome caused by CAR-T treatment 复旦大学附属肿瘤医院 2021-04-30 CN disclosed
CN-112656798-A Application of CDK7 targeted inhibitor in preparation of drug for treating cytokine release syndrome 复旦大学附属肿瘤医院 2021-04-16 CN disclosed
CN-112076194-A Application of compound for targeted inhibition of CDK7 in preparation of compounds for inhibiting triple negative breast cancer stem cells 复旦大学附属肿瘤医院 2020-12-15 CN disclosed
US-20200123499-A1 METHOD FOR EFFICIENT GENERATION OF NEURONS FROM NON-NEURONAL CELLS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2020-04-23 US disclosed
EP-3416970-A1 CORTISTATIN ANALOGS President and Fellows of Harvard College (US) 2018-12-26 EP disclosed
EP-3394038-A1 TARGETED SELECTION OF PATIENTS FOR TREATMENT WITH SPECIFIC CORTISTATIN DERIVATIVES President and Fellows of Harvard College (US) 2018-10-31 EP disclosed
EP-3394072-A1 CORTISTATIN ANALOGS AND USES THEREOF President and Fellows of Harvard College (US) 2018-10-31 EP disclosed
EP-3294418-A1 TARGETED SELECTION OF PATIENTS FOR TREATMENT WITH CORTISTATIN DERIVATIVES President and Fellows of Harvard College (US) 2018-03-21 EP disclosed
WO-2017142621-A1 CORTISTATIN ANALOGS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-08-24 WO disclosed
WO-2017112815-A1 CORTISTATIN ANALOGS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-06-29 WO disclosed
WO-2017112823-A1 TARGETED SELECTION OF PATIENTS FOR TREATMENT WITH SPECIFIC CORTISTATIN DERIVATIVES PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-06-29 WO disclosed
WO-2016182904-A1 TARGETED SELECTION OF PATIENTS FOR TREATMENT WITH CORTISTATIN DERIVATIVES PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-11-17 WO disclosed