SCHEMBL1077932

SCHEMBL1077932

CN1CCN(c2ccc(-c3cc(-c4cccc(C(=O)NC5CCOCC5)c4)n[nH]3)cc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 14/20 0.70
MELK Q14680 1/20 0.58
FLT3 P36888 3/20 0.53
KDR P35968 1/20 0.53
MAP4K1 Q92918 1/20 0.50
RAF1 P04049 1/20 0.48
BRAF P15056 1/20 0.48

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
SCHEMBL936647 0.94 PRKD1 (0.75) PRKD1MELKFLT3KDRMAP4K1
SCHEMBL6923976 0.92 PRKD1 (0.74) PRKD1MELKFLT3KDRMAP4K1
SCHEMBL998233 0.84 PRKD1 (0.74) PRKD1MELKFLT3KDRMAP4K1
SCHEMBL958990 0.83 PRKD1 (1.00) PRKD1MELKFLT3KDRMAP4K1
SCHEMBL6922963 0.83 PRKD1 (1.00) PRKD1MELKFLT3KDRMAP4K1
SCHEMBL1083327 0.82 PRKD1 (1.00) PRKD1MELK
SCHEMBL6923792 0.82 PRKD1 (0.81) PRKD1MELKFLT3MAP4K1
SCHEMBL6924262 0.81 PRKD1 (1.00) PRKD1MELKFLT3MAP4K1
SCHEMBL937642 0.81 PRKD1 (0.77) PRKD1MELKFLT3KDRMAP4K1
SCHEMBL1081001 0.81 PRKD1 (0.73) PRKD1MELKFLT3KDRMAP4K1

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