SCHEMBL6923010

SCHEMBL6923010

CN1CCN(c2ccc(-c3cc(-c4cccc(C(=O)NC5(C#N)CC5)c4)n[nH]3)cc2)CC1

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 16/20 0.73
MELK Q14680 1/20 0.57
MAP4K1 Q92918 1/20 0.49
FLT3 P36888 2/20 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
SCHEMBL936126 0.83 PRKD1 (0.81) PRKD1MELK
SCHEMBL936181 0.82 PRKD1 (1.00) PRKD1MELKMAP4K1FLT3
SCHEMBL936281 0.82 PRKD1 (0.73) PRKD1MAP4K1
SCHEMBL936380 0.82 PRKD1 (0.76) PRKD1MELKMAP4K1
SCHEMBL6923731 0.82 PRKD1 (0.70) PRKD1MAP4K1
SCHEMBL1083327 0.82 PRKD1 (1.00) PRKD1MELK
SCHEMBL937024 0.81 PRKD1 (0.78) PRKD1MELKMAP4K1FLT3
SCHEMBL998233 0.81 PRKD1 (0.74) PRKD1MELKMAP4K1FLT3
SCHEMBL936647 0.81 PRKD1 (0.75) PRKD1MELKMAP4K1FLT3
SCHEMBL1047632 0.80 PRKD1 (1.00) PRKD1MELKMAP4K1FLT3

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