SCHEMBL959982

SCHEMBL959982

CC(C)NC(=O)c1cccc(-c2cc(-c3ccc(OCCN4CCOCC4)cc3)[nH]n2)c1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 9/20 0.64
HRH3 Q9Y5N1 1/20 0.58
RET P07949 6/20 0.57
KDR P35968 4/20 0.56
CSF1R P07333 2/20 0.56
PDGFRB P09619 2/20 0.56
KIT P10721 2/20 0.56
DDR1 Q08345 2/20 0.56
FLT3 P36888 2/20 0.52
AURKA O14965 1/20 0.52
PPARG P37231 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
SCHEMBL6923109 0.96 HRH3 (0.65) PRKD1HRH3RETKDRCSF1R
SCHEMBL962069 0.93 PRKD1 (0.66) PRKD1RETKDRFLT3AURKA
SCHEMBL1079502 0.85 PRKD1 (0.70) PRKD1
SCHEMBL959960 0.81 PRKD1 (0.58) PRKD1
SCHEMBL936788 0.81 PRKD1 (0.65) PRKD1HRH3RETKDR
SCHEMBL1053391 0.81 PRKD1 (0.70) PRKD1
SCHEMBL960488 0.81 PRKD1 (0.70) PRKD1
SCHEMBL6924065 0.81 PRKD1 (0.64) PRKD1HRH3RETKDR
SCHEMBL6924052 0.81 PRKD1 (0.69) PRKD1
SCHEMBL1056077 0.79 PRKD1 (0.76) PRKD1

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
WO-2011009484-A1 ARYLPYRAZOLES AND ARYLISOXAZOLES AND THEIR USE AS PKD MODULATORS NOVARTIS AG (CH) 2011-01-27 WO disclosed
WO-2011009484-A1 ARYLPYRAZOLES AND ARYLISOXAZOLES AND THEIR USE AS PKD MODULATORS NOVARTIS AG (CH) 2011-01-27 WO disclosed