SCHEMBL30868243

SCHEMBL30868243

N#Cc1cc(C2CCCC2)cnc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.47
TNKS2 Q9H2K2 1/20 0.47
MAP3K12 Q12852 4/20 0.41
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
PKM P14618 1/20 0.37
PSMB5 P28074 1/20 0.35
CSNK1A1 P48729 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
HTT P42858 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
MAPK1 P28482 1/20 0.35
CHEK1 O14757 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCNA1 P78396 1/20 0.34
HRH2 P25021 1/20 0.34
HRH1 P35367 1/20 0.34
HRH4 Q9H3N8 1/20 0.34

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
SCHEMBL21355413 0.93 TNKS (0.52) TNKSTNKS2MAP3K12CSNK1A1CLK4
SCHEMBL16456396 0.86 TNKS (0.50) TNKSTNKS2MAP3K12CSNK1A1CLK4
SCHEMBL16442375 0.86 TNKS (0.45) TNKSTNKS2HTTCHEK1CCNA2
SCHEMBL29174308 0.84 HTT (0.49) TNKSTNKS2MAP3K12CSNK1A1CLK4
SCHEMBL29174253 0.84 TNKS (0.47) TNKSTNKS2MAP3K12CSNK1A1CLK4
Hydrochloric Acid SCHEMBL17866318 0.84 TNKS (0.44) TNKSTNKS2HTTCHEK1CCNA2
SCHEMBL16456383 0.82 TNKS (0.47) TNKSTNKS2MAP3K12PKMMAPK1
SCHEMBL19937861 0.74 TNKS (0.40) TNKSTNKS2MAP3K12PKM
SCHEMBL7898980 0.74 HTT (0.44) TNKSTNKS2CSNK1A1CLK4HTT
SCHEMBL30867934 0.74 PDGFRB (0.41) PDGFRBPDGFRAPSMB5HTTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025131978-A1 DRUG-LINKER REAGENTS FOR CONJUGATION NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2025-06-26 WO disclosed
WO-2024028169-A1 NOVEL SPECIFICALLY SUBSTITUTED THIOPHENOLIC COMPOUNDS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2024-02-08 WO disclosed