SCHEMBL936484

SCHEMBL936484

N#CCNC(=O)c1cccc(-c2cc(-c3ccc(CNCC4CCOCC4)cc3)on2)c1

nearest known ligand 0.80

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 11/20 0.80
PRKD3 O94806 1/20 0.62
PRKD2 Q9BZL6 1/20 0.62
JAK2 O60674 1/20 0.43
HIF1A Q16665 1/20 0.41
USP30 Q70CQ3 3/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ROCK2 O75116 1/20 0.39
KDM1A O60341 1/20 0.39
HDAC1 Q13547 1/20 0.39
MLLT1 Q03111 1/20 0.39

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
SCHEMBL6923883 0.89 PRKD1 (1.00) PRKD1PRKD3PRKD2JAK2ROCK2
SCHEMBL936937 0.88 PRKD1 (0.81) PRKD1PRKD3PRKD2HIF1AUSP30
SCHEMBL936935 0.88 PRKD1 (0.81) PRKD1PRKD3PRKD2HIF1AUSP30
SCHEMBL937419 0.86 PRKD1 (0.60) PRKD1PRKD3PRKD2HIF1AHDAC1
SCHEMBL6923188 0.85 PRKD1 (0.62) PRKD1PRKD3PRKD2HIF1ANPC1
SCHEMBL6923240 0.85 PRKD1 (0.74) PRKD1PRKD3PRKD2JAK2ROCK2
SCHEMBL936361 0.83 PRKD1 (0.67) PRKD1PRKD3PRKD2JAK2ROCK2
SCHEMBL6923810 0.82 PRKD1 (0.66) PRKD1PRKD3PRKD2NPC1RAB9A
SCHEMBL6923579 0.82 PRKD1 (0.65) PRKD1PRKD3PRKD2ROCK2
SCHEMBL938116 0.82 PRKD1 (0.69) PRKD1PRKD3PRKD2JAK2

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