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
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