SCHEMBL30183006

SCHEMBL30183006

Clc1cncc(NC2CCCCCC2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
PDGFRB P09619 2/20 0.47
PDGFRA P16234 2/20 0.47
CDK2 P24941 1/20 0.42
NUDT1 P36639 1/20 0.41
CTSK P43235 2/20 0.41
IDH1 O75874 1/20 0.40
PDE4A P27815 1/20 0.40
CDC7 O00311 1/20 0.40
GSK3B P49841 1/20 0.40
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 1/20 0.39
CNR2 P34972 1/20 0.38
HCAR3 P49019 1/20 0.38
FLT3 P36888 1/20 0.38
TYRO3 Q06418 1/20 0.38
MERTK Q12866 1/20 0.38

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
SCHEMBL2891443 1.00 KMT2A (0.51) KMT2AMEN1PDGFRBPDGFRACDK2
SCHEMBL30183041 0.98 KMT2A (0.49) KMT2AMEN1PDGFRBPDGFRACDK2
SCHEMBL6656336 0.98 KMT2A (0.49) KMT2AMEN1PDGFRBPDGFRACDK2
SCHEMBL1327028 0.95 KMT2A (0.45) KMT2AMEN1PDGFRBPDGFRACDK2
SCHEMBL12615604 0.91 CDK2 (0.46) KMT2AMEN1PDGFRBPDGFRACDK2
SCHEMBL1641429 0.83 EGFR (0.49) PDGFRBPDGFRACDK2IDH1CDC7
SCHEMBL12513296 0.83 PIM1 (0.44) CDK2IDH1CDC7GSK3BFLT3
SCHEMBL1641431 0.83 EGFR (0.49) PDGFRBPDGFRACDK2IDH1CDC7
SCHEMBL3504900 0.83 MAPK1 (0.50) CDK2IDH1GSK3B
SCHEMBL12813940 0.80 POLB (0.47) CDK2GSK3B

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-2023017937-A1 NOVEL INHIBITOR FOR MULTIPLE PROTEIN KINASES 계명대학교 산학협력단 2023-02-16 WO disclosed