SCHEMBL2329477

SCHEMBL2329477

CCN(CC)CCCOc1ccc(Nc2cc(NC(=O)Nc3ccccc3Br)ccn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.53
FGFR1 P11362 3/20 0.50
SRC P12931 3/20 0.50
ABL1 P00519 1/20 0.50
EGFR P00533 1/20 0.50
PDGFRB P09619 1/20 0.50
KIT P10721 1/20 0.50
BRAF P15056 1/20 0.50
KDR P35968 1/20 0.50
EPHB4 P54760 1/20 0.50
TEK Q02763 1/20 0.50
AURKA O14965 2/20 0.46
AURKB Q96GD4 2/20 0.46
RAB9A P51151 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
LCK P06239 6/20 0.44
CDK4 P11802 1/20 0.42
CDK2 P24941 1/20 0.42
MEN1 O00255 1/20 0.41

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
SCHEMBL379607 0.89 EGFR (0.64) HRH3FGFR1SRCABL1EGFR
SCHEMBL374607 0.84 EGFR (0.70) HRH3FGFR1SRCABL1EGFR
SCHEMBL374215 0.78 FGFR1 (0.74) HRH3FGFR1SRCABL1EGFR
SCHEMBL374612 0.73 SRC (0.81) HRH3FGFR1SRCABL1EGFR
SCHEMBL374262 0.72 FGFR1 (0.91) HRH3FGFR1SRCABL1EGFR
SCHEMBL1518686 0.71 MAPK8 (0.59) EGFRMEN1MAPTKMT2A
SCHEMBL374671 0.69 EPHX2 (0.59) ABL1EGFRBRAFKDRAURKA
SCHEMBL374510 0.67 EPHX2 (0.52) SRCABL1EGFRBRAFKDR
SCHEMBL374634 0.67 FGFR1 (1.00) HRH3FGFR1SRCABL1EGFR
SCHEMBL6982577 0.67 KMT2A (0.66) RAB9AALDH1A1HTTMEN1NPC1

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-1761505-B1 PYRIMIDINE UREA DERIVATIVES AS KINASE INHIBITORS NOVARTIS AG (CH) 2011-08-17 EP disclosed