SCHEMBL962069

SCHEMBL962069

CC(C)NC(=O)c1cccc(-c2cc(-c3ccc(OCCN4CCCC4)cc3)[nH]n2)c1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 13/20 0.66
KDR P35968 5/20 0.54
FLT3 P36888 3/20 0.53
AVPR1B P47901 1/20 0.51
FLT1 P17948 2/20 0.50
AURKA O14965 1/20 0.50
RET P07949 1/20 0.49

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
SCHEMBL959982 0.93 PRKD1 (0.64) PRKD1KDRFLT3AURKARET
SCHEMBL6923109 0.89 HRH3 (0.65) PRKD1KDRRET
SCHEMBL1079502 0.88 PRKD1 (0.70) PRKD1
SCHEMBL959960 0.84 PRKD1 (0.58) PRKD1
SCHEMBL936788 0.84 PRKD1 (0.65) PRKD1KDRRET
SCHEMBL1053391 0.84 PRKD1 (0.70) PRKD1
SCHEMBL960488 0.84 PRKD1 (0.70) PRKD1
SCHEMBL6924065 0.83 PRKD1 (0.64) PRKD1KDRRET
SCHEMBL6924052 0.83 PRKD1 (0.69) PRKD1
SCHEMBL1056077 0.81 PRKD1 (0.76) PRKD1AVPR1B

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