SCHEMBL5312103

SCHEMBL5312103

O=C1CN(c2ccc(Oc3ccnc4ccccc34)cc2)C(=O)N1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 5/20 0.43
CDK8 P49336 5/20 0.43
KDR P35968 3/20 0.40
ALDH1A1 P00352 1/20 0.40
BRAF P15056 1/20 0.40
MAPK14 Q16539 1/20 0.40
TNNI3K Q59H18 1/20 0.40
MET P08581 3/20 0.39
HTR1A P08908 1/20 0.37
ALK Q9UM73 1/20 0.37
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 1/20 0.36

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
SCHEMBL29812245 0.73 KDM1A (0.54) CCNCCDK8KDRALDH1A1BRAF
SCHEMBL1546587 0.73 KDM1A (0.54) CCNCCDK8KDRALDH1A1BRAF
SCHEMBL1891801 0.73 MET (0.54) KDRMET
SCHEMBL1897179 0.73 ERBB2 (0.55) KDRALDH1A1BRAFMAPK14TNNI3K
SCHEMBL27303568 0.70 KDR (0.49) KDRBRAFMAPK14TNNI3KMET
SCHEMBL29802752 0.70 KDR (0.55) CCNCCDK8KDRBRAFMAPK14
SCHEMBL12386844 0.70 KDR (0.48) KDRALDH1A1BRAFMAPK14TNNI3K
SCHEMBL23085813 0.70 KDR (0.48) CCNCCDK8KDRBRAFMAPK14
SCHEMBL29873530 0.70 KDR (0.48) CCNCCDK8KDRBRAFMAPK14
SCHEMBL9431770 0.69 NCF1 (0.54) KDRALDH1A1BRAFMAPK14TNNI3K

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1827434-A2 QUINOLINES AND QUINAZOLINE ANALOGS AND THEIR USE AS MEDICAMENTS FOR TREATING CANCER Amgen Inc. (US) 2007-09-05 EP disclosed
WO-2006060318-A2 QUINOLINES AND QUINAZOLINE ANALOGS AND THEIR USE AS MEDICAMENTS FOR TREATING CANCER AMGEN INC. (US) 2006-06-08 WO disclosed