SCHEMBL4775821

SCHEMBL4775821

NC(=O)C1CCN(CCOc2ccc(Nc3ncc(-c4ccc(C(=O)NCC(=O)O)cc4)cn3)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 1/20 0.50
▸ LTA4H P09960 4/20 0.48
▸ BRD4 O60885 3/20 0.48
▸ JAK1 P23458 3/20 0.48
▸ HDAC1 Q13547 3/20 0.48
▸ JAK2 O60674 1/20 0.48
▸ RET P07949 1/20 0.48
▸ TYK2 P29597 1/20 0.48
▸ FLT3 P36888 1/20 0.48
▸ JAK3 P52333 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ HRH3 Q9Y5N1 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ BRAF P15056 2/20 0.41
▸ TUBB4A P04350 2/20 0.41
▸ TUBB P07437 2/20 0.41

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
SCHEMBL4794442 0.90 MCHR1 (0.53) MCHR1LTA4HBRD4JAK1HDAC1
SCHEMBL1734148 0.90 BRD4 (0.47) MCHR1LTA4HBRD4JAK1HDAC1
SCHEMBL13605326 0.85 MCHR1 (0.55) MCHR1LTA4HBRD4JAK1HDAC1
SCHEMBL1735408 0.84 BRD4 (0.46) MCHR1LTA4HBRD4JAK1HDAC1
SCHEMBL13605312 0.81 BRD4 (0.46) MCHR1LTA4HBRD4JAK1HDAC1
SCHEMBL13605345 0.80 BRD4 (0.47) BRD4JAK1HDAC1JAK2RET
SCHEMBL13605342 0.80 KCNH2 (0.47) LTA4HBRD4JAK1HDAC1JAK2
SCHEMBL13605367 0.79 HRH3 (0.44) LTA4HBRD4JAK1HDAC1JAK2
SCHEMBL1735235 0.79 LTA4H (0.52) MCHR1LTA4HBRD4JAK1HDAC1
SCHEMBL13605354 0.78 BRD4 (0.56) BRD4JAK1HDAC1JAK2RET

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-2007038669-A9 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC 2008-05-29 — — WO claimed
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