SCHEMBL2023933

SCHEMBL2023933

CN(C)C(=O)C1=Nc2ncncc2C1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 9/20 0.37
CYP3A4 P08684 8/20 0.37
TSHR P16473 6/20 0.37
CYP2D6 P10635 3/20 0.37
HSD17B10 Q99714 6/20 0.36
ALDH1A1 P00352 5/20 0.36
ALOX15 P16050 3/20 0.36
CYP2C19 P33261 3/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
CLK4 Q9HAZ1 3/20 0.34
USP2 O75604 1/20 0.32
GLA P06280 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL4884779 0.80 HCAR2 (0.36)
Dimethylformamide SCHEMBL28802744 0.80 KDM4E (0.32) HSD17B10ALDH1A1ALOX15KDM4E
SCHEMBL14311954 0.79 ADORA3 (0.32) TSHR
SCHEMBL28331832 0.78 MAPK1 (0.36) ALDH1A1KDM4EGLA
SCHEMBL30717979 0.75 TP53 (0.35) HSD17B10ALDH1A1ALOX15
SCHEMBL30717975 0.75 TP53 (0.35) HSD17B10ALDH1A1ALOX15
SCHEMBL18996006 0.69 GABRG2 (0.30)
SCHEMBL10847028 0.67 CYP1A2 (0.36) CYP1A2CYP3A4TSHRCYP2D6HSD17B10
SCHEMBL13200098 0.66
SCHEMBL30702431 0.65 HSP90AA1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025235363-A1 CYCLIN-DEPENDENT KINASE 4 DEGRADERS BLUEPRINT MEDICINES CORPORATION (US) 2025-11-13 WO disclosed
CN-120092003-A CDK protein degrading agents, pharmaceutical compositions and therapeutic uses 拜欧斯瑞克斯公司 2025-06-03 CN disclosed
CN-102869358-B Combination comprising a cyclin dependent kinase 4 or cyclin dependent kinase 6(CDK4/6) inhibitor and an mTOR inhibitor for the treatment of cancer NOVARTIS AG (CH) 2016-03-23 CN disclosed
EP-2536730-A1 PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 Novartis AG (CH) 2012-12-26 EP disclosed
WO-2011101409-A1 PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 NOVARTIS AG (CH) 2011-08-25 WO disclosed
EP-2331547-A1 PYRROLOPYRIMIDINE COMPOUNDS AS CDK INHIBITORS Novartis AG (CH) 2011-06-15 EP disclosed
WO-2010020675-A1 PYRROLOPYRIMIDINE COMPOUNDS AS CDK INHIBITORS NOVARTIS AG (CH) 2010-02-25 WO disclosed