SCHEMBL24256611

SCHEMBL24256611

CCCc1nc2sc3c(NCCCc4ccc(OC)c(OCC5Cc6c(CCC)nc7sc8c(NCCc9c[nH]c%10ccccc9%10)ncnc8c7c6C5)c4)ncnc3c2c2c1CCC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.36
KDM4E B2RXH2 3/20 0.36
HTT P42858 3/20 0.36
MAPK1 P28482 2/20 0.36
IDE P14735 1/20 0.36
RAD52 P43351 1/20 0.36
UBE2N P61088 1/20 0.36
ABCC1 P33527 1/20 0.36
PDPK1 O15530 1/20 0.36
RPS6KB1 P23443 1/20 0.36
POLB P06746 2/20 0.35
RECQL P46063 2/20 0.35
USP2 O75604 2/20 0.35
LMNA P02545 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
CLK4 Q9HAZ1 2/20 0.35

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
SCHEMBL24256970 0.83 HTT (0.47) MAPTKDM4EHTTMAPK1IDE
SCHEMBL24256969 0.82 KDM4E (0.46) MAPTKDM4EHTTMAPK1IDE
SCHEMBL24256356 0.79 NPC1 (0.48) MAPTKDM4EHTTMAPK1IDE
SCHEMBL24256706 0.79 NPC1 (0.49) MAPTKDM4EHTTMAPK1IDE
SCHEMBL24256703 0.76 POLB (0.47) MAPTKDM4EHTTMAPK1IDE
SCHEMBL24256696 0.74 CHRM4 (0.48) MAPTKDM4EHTTMAPK1IDE
SCHEMBL24256693 0.73 KDM4E (0.46) MAPTKDM4EHTTMAPK1IDE
SCHEMBL24256615 0.73 KDM4E (0.44) MAPTKDM4EHTTMAPK1IDE
SCHEMBL24256699 0.72 KDM4E (0.49) MAPTKDM4EHTTMAPK1IDE
SCHEMBL24256352 0.70 POLB (0.51) MAPTKDM4EHTTMAPK1IDE

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
WO-2022035806-A1 FUSED TRICYCLIC PYRIMIDINE-THIENO-PYRIDINE SMALL MOLECULE INHIBITORS OF UBIQUITIN-SPECIFIC PROTEASE 28 DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-02-17 WO disclosed