SCHEMBL6224601

SCHEMBL6224601

CNc1nccc(CNc2ncccc2C(=O)Nc2cc(OC[C@@]3(C)CCCN3)cc(C(F)(F)F)c2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.47
BRAF P15056 4/20 0.43
KIT P10721 2/20 0.43
TEK Q02763 3/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TNNI3K Q59H18 2/20 0.38
YES1 P07947 2/20 0.38
RET P07949 2/20 0.38
MAP3K20 Q9NYL2 2/20 0.38
RIPK3 Q9Y572 2/20 0.38
CIT O14578 1/20 0.38

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
SCHEMBL6223721 0.91 KDR (0.46) KDRBRAFKITTEKLMNA
SCHEMBL1115271 0.87 KDR (0.56) KDRBRAFKITLMNAMEN1
SCHEMBL1577802 0.87 KDR (0.65) KDRBRAFKITTNNI3KYES1
SCHEMBL6223810 0.85 KDR (0.51) KDRBRAFKITLMNAMEN1
SCHEMBL5262308 0.81 TEK (0.54) KDRKITTEKYES1ABL1
SCHEMBL13417761 0.81 KDR (0.47) KDRBRAFKITTEKLMNA
SCHEMBL3149959 0.81 KDR (0.47) KDRBRAFKITTEKLMNA
SCHEMBL3150889 0.81 KDR (0.47) KDRBRAFKITTEKLMNA
SCHEMBL3155284 0.81 KDR (0.47) KDRBRAFKITTEKLMNA
SCHEMBL3154554 0.81 KDR (0.47) KDRBRAFKITTEKLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1537084-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF Amgen Inc. (US) 2005-06-08 EP claimed
WO-2004007458-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF AMGEN INC. (US) 2004-01-22 WO claimed
EP-1537084-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF Amgen Inc. (US) 2005-06-08 EP disclosed
WO-2004007458-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF AMGEN INC. (US) 2004-01-22 WO disclosed