SCHEMBL23770786

SCHEMBL23770786

Cc1cccc(C)c1-c1nc(NSc2cccc(N3CCN(C(=O)OC(C)(C)C)CC3=O)n2)ccc1Cl

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.34
C5AR1 P21730 2/20 0.34
CCNK O75909 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCND3 P30281 1/20 0.34
CDK9 P50750 1/20 0.34
CDK6 Q00534 1/20 0.34
P2RX7 Q99572 4/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PDE4B Q07343 1/20 0.33
PDE7A Q13946 1/20 0.33
MKNK1 Q9BUB5 2/20 0.32
F12 P00748 1/20 0.32
STS P08842 2/20 0.32
CKS1B P61024 1/20 0.32
SKP1 P63208 1/20 0.32
SKP2 Q13309 1/20 0.32
POLB P06746 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
SCHEMBL19925433 0.84 STS (0.37) ENPP2C5AR1CCNKCCNA2CDK2
SCHEMBL23770460 0.83 GSK3B (0.35)
SCHEMBL23770446 0.76 SUV39H2 (0.39) CCNKCCNA2CDK2CCND3CDK9
SCHEMBL23770509 0.75 CNR1 (0.32)
SCHEMBL23770751 0.75 GPR119 (0.40) ENPP2CCNKCCNA2CDK2CCND3
SCHEMBL23770837 0.74 SMO (0.34) CCNA2CDK2MEN1KMT2A
SCHEMBL23770785 0.73 LMNA (0.43) MEN1KMT2A
SCHEMBL23770800 0.72 RORC (0.32) CDK9CDK6MEN1KMT2A
SCHEMBL23770450 0.71 HTR3E (0.43) CCNKCCNA2CDK2CCND3CDK9
SCHEMBL29464463 0.71 STS (0.41) CCNKCCNA2CDK2CCND3CDK9

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-3504194-B1 N-(PYRIDIN-2-YL)PYRIDINE-SULFONAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2021-08-18 EP disclosed