SCHEMBL13060646

SCHEMBL13060646

CCc1cccc(-c2cccc(C(=O)NCCN(C)C)c2)c1OC

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FYN P06241 4/20 0.52
PRKD3 O94806 1/20 0.50
PRKD1 Q15139 1/20 0.50
PRKD2 Q9BZL6 1/20 0.50
HCRTR2 O43614 1/20 0.47
MAP4K4 O95819 1/20 0.46
RAD52 P43351 4/20 0.46
GRK5 P34947 1/20 0.46
CAMK2D Q13557 2/20 0.46
CD274 Q9NZQ7 1/20 0.45
ALDH1A1 P00352 1/20 0.44
ABL1 P00519 1/20 0.44
TLR9 Q9NR96 1/20 0.44
TLR8 Q9NR97 1/20 0.44
TLR7 Q9NYK1 1/20 0.44
PTK2 Q05397 1/20 0.44
USP2 O75604 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
SCHEMBL13005451 0.89 FYN (0.51) FYNPRKD3PRKD1PRKD2HCRTR2
SCHEMBL17155168 0.87 CAMK2D (0.52) FYNPRKD3PRKD1PRKD2MAP4K4
SCHEMBL13061005 0.80 KCNA5 (0.49)
SCHEMBL13060890 0.79 CTSL (0.41)
SCHEMBL13060892 0.79 CTSL (0.41)
SCHEMBL13060800 0.79 TAS1R3 (0.41)
SCHEMBL13061114 0.79 TAS1R3 (0.41)
SCHEMBL17154227 0.79 FYN (0.49) FYNPRKD3PRKD1PRKD2MAP4K4
SCHEMBL17155484 0.79 PRKD3 (0.48) PRKD3PRKD1PRKD2MAP4K4CAMK2D
SCHEMBL17066988 0.78 FYN (0.52) FYNPRKD3PRKD1PRKD2MAP4K4

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
US-7851637-B2 Compounds and methods for inhibiting the interaction of BCL proteins with binding partners INFINITY PHARMACEUTICALS, INC. (US) 2010-12-14 US disclosed