SCHEMBL4551453

SCHEMBL4551453

Cc1cc(OCCOCc2ccccc2)ccc1N(C(=O)c1nc[nH]c1C(=O)N(c1nc2ccccc2[nH]1)c1nc2ccc(Cl)cc2[nH]1)c1ccc(OC2CCNCC2)cc1C

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIT P10721 5/20 0.33
FLT3 P36888 2/20 0.33
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
MCL1 Q07820 5/20 0.32
MAOB P27338 2/20 0.31
BCL2 P10415 1/20 0.31
APP P05067 1/20 0.31
MAPT P10636 1/20 0.31
MDM2 Q00987 2/20 0.31
MDM4 O15151 1/20 0.31
MAOA P21397 1/20 0.31
KDM1A O60341 1/20 0.30
PRMT5 O14744 1/20 0.30

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
SCHEMBL216141 0.82 CHEK2 (0.41)
Hydrochloric Acid SCHEMBL215453 0.81 CHEK2 (0.40)
SCHEMBL214670 0.81 POLB (0.36) KITFLT3MAOB
SCHEMBL215755 0.80 CHEK2 (0.39) KDM1A
Hydrochloric Acid SCHEMBL213649 0.79 CHEK2 (0.38) KDM1A
SCHEMBL214779 0.75 CHEK2 (0.47) MAOBMAOA
SCHEMBL213794 0.73 POLB (0.38)
Hydrochloric Acid SCHEMBL215094 0.72 POLB (0.37)
SCHEMBL217127 0.72 HRH3 (0.37) MAPT
SCHEMBL213717 0.70 POLB (0.45) KDM1A

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
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP disclosed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 WO disclosed