SCHEMBL4781668

SCHEMBL4781668

Cc1ncc(C(=O)O)cc1-n1cc(C(=O)NCC(C)(C)C)nn1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MIF P14174 2/20 0.39
ACKR3 P25106 4/20 0.35
DDT P30046 2/20 0.35
CNR2 P34972 1/20 0.34
NOTUM Q6P988 1/20 0.33
RIPK1 Q13546 1/20 0.33
BUB1 O43683 1/20 0.32
CYP2C9 P11712 1/20 0.32
PRKACG P22612 1/20 0.32
MAPKAPK2 P49137 1/20 0.32
MAPK11 Q15759 1/20 0.32
MAPK14 Q16539 1/20 0.32
ACSL5 Q9ULC5 1/20 0.32
STK24 Q9Y6E0 1/20 0.32
KLKB1 P03952 2/20 0.32
ADORA2A P29274 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
SCHEMBL4907955 0.88 ESRRA (0.38) MIFACKR3DDTCNR2CYP2C9
SCHEMBL14292741 0.86 MIF (0.38) MIFACKR3DDTCNR2NOTUM
SCHEMBL1404674 0.83 MIF (0.47) MIFACKR3DDTCNR2
SCHEMBL4780603 0.82 DRD2 (0.38) MIFACKR3DDTCNR2NOTUM
SCHEMBL4782176 0.82 BRAF (0.45) MAPK11MAPK14
SCHEMBL4782660 0.79 NR1I2 (0.42) MIFDDTMAPK14KLKB1
SCHEMBL4784135 0.79 CYP1A2 (0.48) CYP2C9
SCHEMBL4781910 0.76 GSK3A (0.33) DDTCYP2C9MAPK14
SCHEMBL4778554 0.76 DDT (0.42) DDT
SCHEMBL4783370 0.76 DDT (0.38) MIFDDTCNR2

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