SCHEMBL4783370

SCHEMBL4783370

Cc1ncc(Nc2cccc(NC(=O)C(C)(C)C)c2)cc1-n1cc(C(=O)NCC(C)(C)C)nn1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DDT P30046 3/20 0.38
KDM4E B2RXH2 2/20 0.38
SYK P43405 1/20 0.37
BRD4 O60885 1/20 0.36
CNR2 P34972 1/20 0.36
BRAF P15056 1/20 0.35
MIF P14174 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GPR142 Q7Z601 1/20 0.34
MAP4K4 O95819 1/20 0.33

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
SCHEMBL4783374 0.91 DDT (0.42) DDTKDM4EMIFNPSR1GPR142
SCHEMBL14292741 0.77 MIF (0.38) DDTCNR2MIF
SCHEMBL4779766 0.77 NR1I2 (0.41)
SCHEMBL4781668 0.76 MIF (0.39) DDTCNR2MIF
SCHEMBL4779207 0.76 NR1I2 (0.38) DDTCNR2MIF
SCHEMBL4779575 0.75 ACKR3 (0.34) DDTBRAF
SCHEMBL4783994 0.75 EGFR (0.33) DDTMIF
SCHEMBL4779770 0.74 NR1H4 (0.39) DDTKDM4E
SCHEMBL4783530 0.74 ACKR3 (0.34) DDTBRAF
SCHEMBL4780603 0.74 DRD2 (0.38) DDTKDM4ECNR2MIF

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-2008021388-A1 HETEROARYL DERIVATIVES AS CYTOKINE INHIBITORS KEMIA, INC. (US) 2008-02-21 WO disclosed