SCHEMBL936181

SCHEMBL936181

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 16/20 1.00
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
SCHEMBL958990 0.89 PRKD1 (1.00) PRKD1MELKMAP4K1FLT3
SCHEMBL6922963 0.89 PRKD1 (1.00) PRKD1MELKMAP4K1FLT3
SCHEMBL6924262 0.88 PRKD1 (1.00) PRKD1MELKMAP4K1FLT3
SCHEMBL1056529 0.85 PRKD1 (0.78) PRKD1MELKMAP4K1FLT3
SCHEMBL937024 0.85 PRKD1 (0.78) PRKD1MELKMAP4K1FLT3
SCHEMBL1047632 0.84 PRKD1 (1.00) PRKD1MELKMAP4K1FLT3
SCHEMBL1049621 0.84 PRKD1 (0.80) PRKD1MELKMAP4K1FLT3
SCHEMBL936380 0.83 PRKD1 (0.76) PRKD1MELKMAP4K1
SCHEMBL936126 0.83 PRKD1 (0.81) PRKD1MELK
SCHEMBL936647 0.83 PRKD1 (0.75) 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 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