SCHEMBL7913034

SCHEMBL7913034

CCNC(=O)Nc1ccc(Cc2ccc(OC)c(-c3cccc(C(C)=O)c3)c2F)cn1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.42
PIK3CA P42336 5/20 0.42
MAPK8 P45983 5/20 0.42
MAPK9 P45984 5/20 0.42
MAPK10 P53779 5/20 0.42
YES1 P07947 1/20 0.41
HIPK1 Q86Z02 1/20 0.41
AURKB Q96GD4 1/20 0.41
ABL1 P00519 1/20 0.39

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
SCHEMBL7914041 0.92 FYN (0.40) MAPK1
SCHEMBL3793584 0.91 CYP1A2 (0.38) MAPK1
SCHEMBL4316382 0.90 ABL1 (0.40) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL7905713 0.90 FLT1 (0.41)
SCHEMBL8031130 0.89 MAPK1 (0.42) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL7913183 0.89 MAPK1 (0.41) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL7913028 0.89 FYN (0.39)
SCHEMBL13578431 0.87 MAPK1 (0.40) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL8055903 0.87 MAPK1 (0.44) MAPK1PIK3CAMAPK8MAPK9MAPK10
Hydrochloric Acid SCHEMBL3792884 0.86 MAPK1 (0.43) MAPK1PIK3CAMAPK8MAPK9MAPK10

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
WO-2010059838-A2 PDE4 INHIBITORS SELECTIVE FOR THE LONG FORM OF PDE4 FOR TREATING INFLAMMATION AND AVOIDING SIDE EFFECTS DECODE GENETICS EHF (IS) 2010-05-27 WO disclosed