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SCHEMBL967019

SCHEMBL967019

CC(C)NC(=O)c1cccc(-c2cc(-c3ccc(CNC4CC4)cc3)[nH]n2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PRKD1 Q15139 19/20 1.00
▸ PRKD3 O94806 1/20 0.51
▸ PRKD2 Q9BZL6 1/20 0.51
▸ ADORA3 P0DMS8 1/20 0.44
▸ ADORA2A P29274 1/20 0.44
▸ ADORA2B P29275 1/20 0.44
▸ ADORA1 P30542 1/20 0.44

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
SCHEMBL935732 0.96 PRKD1 (0.93) PRKD1PRKD3PRKD2
SCHEMBL936613 0.85 PRKD1 (0.74) PRKD1PRKD3PRKD2
SCHEMBL6922501 0.85 PRKD1 (0.80) PRKD1ADORA3ADORA2AADORA2BADORA1
SCHEMBL1001130 0.84 PRKD1 (0.73) PRKD1PRKD3PRKD2
SCHEMBL1001131 0.84 PRKD1 (0.73) PRKD1PRKD3PRKD2
SCHEMBL937410 0.82 PRKD1 (0.81) PRKD1ADORA3ADORA2AADORA2BADORA1
SCHEMBL6923806 0.82 PRKD1 (0.81) PRKD1ADORA3ADORA2AADORA2BADORA1
SCHEMBL936634 0.81 PRKD1 (0.69) PRKD1
SCHEMBL936452 0.81 PRKD1 (0.74) PRKD1ADORA3ADORA2AADORA2BADORA1
SCHEMBL936934 0.81 PRKD1 (0.80) PRKD1ADORA3ADORA2AADORA2BADORA1

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