SCHEMBL5296558

SCHEMBL5296558

COC(=O)CCCNC(=O)c1cc2c(cnn2CC(C)C)cc1Oc1ccc(F)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 1/20 0.62
▸ NR1H4 Q96RI1 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ HIPK4 Q8NE63 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ HTR2A P28223 3/20 0.35
▸ HTR2C P28335 3/20 0.35
▸ NR3C1 P04150 1/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA3 P07451 1/20 0.35
▸ CA4 P22748 1/20 0.35
▸ CA6 P23280 1/20 0.35
▸ CA5A P35218 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ CA13 Q8N1Q1 1/20 0.35

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
SCHEMBL2445182 0.88 MAPK14 (0.73) MAPK14MEN1KMT2AHIPK4KDM4E
SCHEMBL31371552 0.86 MAPK14 (0.81) MAPK14HIPK4HTR2AHTR2CPTGER4
SCHEMBL2443328 0.86 MAPK14 (0.81) MAPK14HIPK4HTR2AHTR2CPTGER4
SCHEMBL2443317 0.86 MAPK14 (0.63) MAPK14MEN1KMT2AKDM4EHSD17B10
SCHEMBL2448328 0.84 MAPK14 (0.61) MAPK14MCHR2MCHR1
SCHEMBL2450289 0.84 MAPK14 (0.57) MAPK14KMT2AKDM4EHSD17B10MCHR1
SCHEMBL2450576 0.83 MAPK14 (0.59) MAPK14KDM4ENR3C1PTGER4PTGER2
SCHEMBL2446126 0.82 MAPK14 (0.56) MAPK14HIPK4HTR2AHTR2CNR3C1
SCHEMBL2450377 0.81 MAPK14 (0.55) MAPK14HTR2AHTR2CHTR2BIRAK4
SCHEMBL5296566 0.80 MAPK14 (0.54) MAPK14HIPK4HTR2AHTR2CNR3C1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1606283-A4 P38 INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC (US) 2007-05-23 — — EP disclosed
EP-1606283-A2 P38 INHIBITORS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2005-12-21 — — EP disclosed
WO-2004078116-A2 P38 INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA, INC. (US) 2004-09-16 — — WO disclosed
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