SCHEMBL4769351

SCHEMBL4769351

CN1CCN(Cc2cc(NC(=O)Nc3ccc(Oc4cc(N)ncn4)cc3)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 15/20 0.64
BRAF P15056 11/20 0.64
MAPK14 Q16539 11/20 0.61
TNNI3K Q59H18 10/20 0.61
FGFR1 P11362 2/20 0.57
CDK2 P24941 2/20 0.54
CDK8 P49336 2/20 0.54
CDK1 P06493 1/20 0.54
SRC P12931 3/20 0.51
ABL1 P00519 2/20 0.51
DDR1 Q08345 2/20 0.51
DDR2 Q16832 2/20 0.51
STK25 O00506 1/20 0.51
CIT O14578 1/20 0.51
MAP2K7 O14733 1/20 0.51
IKBKB O14920 1/20 0.51
AURKA O14965 1/20 0.51
GAK O14976 1/20 0.51
CHUK O15111 1/20 0.51
MUSK O15146 1/20 0.51

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
SCHEMBL4932660 0.93 KDR (0.66) KDRBRAFMAPK14TNNI3KFGFR1
SCHEMBL4762311 0.92 KDR (0.67) KDRBRAFMAPK14TNNI3KFGFR1
SCHEMBL4938328 0.91 KDR (0.59) KDRBRAFMAPK14TNNI3KFGFR1
SCHEMBL4929645 0.91 KDR (0.65) KDRBRAFMAPK14TNNI3KFGFR1
SCHEMBL4769465 0.89 KDR (0.65) KDRBRAFMAPK14TNNI3KFGFR1
SCHEMBL4766035 0.86 KDR (0.64) KDRBRAFMAPK14TNNI3KMAP3K7
SCHEMBL29827937 0.84 CDK2 (0.75) KDRBRAFMAPK14TNNI3KFGFR1
SCHEMBL4769220 0.84 CDK2 (0.75) KDRBRAFMAPK14TNNI3KFGFR1
SCHEMBL3173197 0.84 KDR (0.59) KDRBRAFMAPK14TNNI3KFGFR1
SCHEMBL4932639 0.83 KDR (0.64) KDRBRAFMAPK14TNNI3KFGFR1

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
EP-1511730-B1 DIARYL UREA DERIVATIVES USEFUL FOR THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES NOVARTIS AG (CH) 2008-12-10 EP claimed