SCHEMBL936479

SCHEMBL936479

N#CC(NC(=O)c1cccc(-c2cc(-c3ccc(CNC4CCOCC4)cc3)on2)c1)C1CC1

nearest known ligand 0.81

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 11/20 0.81
PRKD3 O94806 1/20 0.81
PRKD2 Q9BZL6 1/20 0.81
ATR Q13535 2/20 0.44
ATM Q13315 1/20 0.44
PRMT5 O14744 1/20 0.38
CCR2 P41597 1/20 0.36
CTSK P43235 1/20 0.35
CTSC P53634 1/20 0.35
MAP4K4 O95819 1/20 0.35
TGFBR1 P36897 1/20 0.35
PPARG P37231 2/20 0.35
PPARA Q07869 2/20 0.35

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
SCHEMBL938258 0.91 PRKD1 (0.85) PRKD1PRKD3PRKD2ATRATM
SCHEMBL936438 0.89 PRKD1 (1.00) PRKD1PRKD3PRKD2ATRATM
SCHEMBL6924103 0.89 PRKD1 (1.00) PRKD1PRKD3PRKD2ATRATM
SCHEMBL936439 0.89 PRKD1 (1.00) PRKD1PRKD3PRKD2ATRATM
SCHEMBL6923622 0.88 PRKD1 (0.80) PRKD1PRKD3PRKD2ATRATM
SCHEMBL935616 0.87 PRKD1 (0.79) PRKD1PRKD3PRKD2ATRATM
SCHEMBL6924074 0.87 PRKD1 (1.00) PRKD1PRKD3PRKD2ATRATM
SCHEMBL6922606 0.86 PRKD1 (0.78) PRKD1PRKD3PRKD2CTSKCTSC
SCHEMBL6923883 0.85 PRKD1 (1.00) PRKD1PRKD3PRKD2ATRATM
SCHEMBL935676 0.83 PRKD1 (0.88) PRKD1PRKD3PRKD2ATRATM

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