SCHEMBL937987

SCHEMBL937987

C[C@H](C#N)NC(=O)c1cccc(-c2cc(-c3ccc(CNCCN(C)C)cc3)on2)c1

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 14/20 0.75
PRKD3 O94806 1/20 0.67
PRKD2 Q9BZL6 1/20 0.67
ALK Q9UM73 1/20 0.46
HDAC1 Q13547 1/20 0.41
FYN P06241 1/20 0.40
TBK1 Q9UHD2 1/20 0.40
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40

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
SCHEMBL937989 1.00 PRKD1 (0.75) PRKD1PRKD3PRKD2ALKHDAC1
SCHEMBL6923884 0.91 PRKD1 (0.61) PRKD1PRKD3PRKD2ALKHDAC1
SCHEMBL936786 0.87 PRKD1 (0.74) PRKD1PRKD3PRKD2HDAC1PPARG
SCHEMBL936787 0.87 PRKD1 (0.74) PRKD1PRKD3PRKD2HDAC1PPARG
SCHEMBL935844 0.86 PRKD1 (1.00) PRKD1PRKD3PRKD2PPARGPPARA
SCHEMBL935843 0.86 PRKD1 (1.00) PRKD1PRKD3PRKD2PPARGPPARA
SCHEMBL938420 0.85 PRKD1 (0.81) PRKD1PRKD3PRKD2FYNPPARG
SCHEMBL938421 0.85 PRKD1 (0.81) PRKD1PRKD3PRKD2FYNPPARG
SCHEMBL936642 0.83 PRKD1 (0.85) PRKD1PRKD3PRKD2PPARGPPARA
SCHEMBL936644 0.83 PRKD1 (0.85) PRKD1PRKD3PRKD2PPARGPPARA

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