SCHEMBL6049657

SCHEMBL6049657

NC(=O)Nc1cccc(Oc2ccncc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 2/20 0.61
ALDH1A1 P00352 2/20 0.54
KDR P35968 2/20 0.52
BRAF P15056 1/20 0.52
MAPK14 Q16539 1/20 0.52
TNNI3K Q59H18 1/20 0.52
KDM1A O60341 1/20 0.52
RCOR1 Q9UKL0 1/20 0.52
HTT P42858 2/20 0.51
MITF O75030 1/20 0.51
POLB P06746 1/20 0.51
MAPK1 P28482 1/20 0.51
F13A1 P00488 1/20 0.51
TGM2 P21980 1/20 0.51
PLAU P00749 1/20 0.49
F10 P00742 1/20 0.48
SIRT2 Q8IXJ6 1/20 0.48
SIRT1 Q96EB6 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47

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
SCHEMBL4089354 0.87 MITF (0.65) ALDH1A1HTTMITFPOLBMAPK1
SCHEMBL18666241 0.84 ALDH1A1 (0.58) RAF1ALDH1A1KDRBRAFMAPK14
SCHEMBL5008975 0.82 HSD17B10 (0.58) RAF1ALDH1A1KDRBRAFMAPK14
SCHEMBL4092538 0.82 CDK8 (0.58) RAF1ALDH1A1HTTMITFPOLB
SCHEMBL4082468 0.82 ALDH1A1 (0.55) ALDH1A1HTTMITFPOLBMAPK1
SCHEMBL30396799 0.81 KCNK3 (0.71) RAF1KDRHTTMAPK1PLAU
SCHEMBL24004043 0.81 HPSE (0.56) RAF1ALDH1A1BRAFKDM1ARCOR1
SCHEMBL24010179 0.80 HDAC3 (0.56) RAF1BRAFKDM1ARCOR1HTT
SCHEMBL6049520 0.80 BTK (0.48) RAF1ALDH1A1KDRMAPK1F10
SCHEMBL13648115 0.79 RAF1 (0.50) RAF1ALDH1A1KDRBRAFMAPK14

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-1041982-A4 INHIBITION OF p38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER PHARMACEUTICALS CORP (US) 2006-06-14 EP disclosed
EP-1041982-A1 INHIBITION OF p38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS Bayer Corporation (US) 2000-10-11 EP disclosed
WO-1999032111-A1 INHIBITION OF p38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER CORPORATION (US) 1999-07-01 WO disclosed