SCHEMBL930875

SCHEMBL930875

CN(CC#N)C(=O)c1cccc(-c2cc(-c3ccc(CNC4CCOCC4)cc3)on2)c1

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 10/20 0.75
PRKD3 O94806 1/20 0.69
PRKD2 Q9BZL6 1/20 0.69
ATM Q13315 1/20 0.42
ATR Q13535 1/20 0.42
FYN P06241 1/20 0.37
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
PIK3CD O00329 1/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAP4K4 O95819 1/20 0.35
TGFBR1 P36897 1/20 0.35
PPARG P37231 2/20 0.35
PPARA Q07869 2/20 0.35
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34

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 0.86 PRKD1 (1.00) PRKD1PRKD3PRKD2ATMATR
SCHEMBL6924103 0.82 PRKD1 (1.00) PRKD1PRKD3PRKD2ATMATR
SCHEMBL936439 0.82 PRKD1 (1.00) PRKD1PRKD3PRKD2ATMATR
SCHEMBL936438 0.82 PRKD1 (1.00) PRKD1PRKD3PRKD2ATMATR
SCHEMBL938258 0.82 PRKD1 (0.85) PRKD1PRKD3PRKD2ATMATR
SCHEMBL6924074 0.80 PRKD1 (1.00) PRKD1PRKD3PRKD2ATMATR
SCHEMBL937974 0.80 PRKD1 (0.72) PRKD1PRKD3PRKD2ATMATR
SCHEMBL936479 0.80 PRKD1 (0.81) PRKD1PRKD3PRKD2ATMATR
SCHEMBL6923622 0.79 PRKD1 (0.80) PRKD1PRKD3PRKD2ATMATR
SCHEMBL935616 0.78 PRKD1 (0.79) PRKD1PRKD3PRKD2ATMATR

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