SCHEMBL13005451

SCHEMBL13005451

COc1c(CC(C)C)cccc1-c1cccc(C(=O)NCCN(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FYN P06241 4/20 0.51
PRKD3 O94806 1/20 0.45
PRKD1 Q15139 1/20 0.45
PRKD2 Q9BZL6 1/20 0.45
RAD52 P43351 3/20 0.44
MAP4K4 O95819 1/20 0.43
PARP1 P09874 2/20 0.43
GRK5 P34947 1/20 0.43
CAMK2D Q13557 2/20 0.43
CD274 Q9NZQ7 1/20 0.43
HCRTR2 O43614 1/20 0.42
ABL1 P00519 1/20 0.42
PTK2 Q05397 1/20 0.42
EGFR P00533 1/20 0.42
KIFC1 Q9BW19 1/20 0.41

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
SCHEMBL13060646 0.89 FYN (0.52) FYNPRKD3PRKD1PRKD2RAD52
SCHEMBL17154227 0.88 FYN (0.49) FYNPRKD3PRKD1PRKD2RAD52
SCHEMBL13005472 0.83 CTSL (0.41)
SCHEMBL13005481 0.83 CTSL (0.41)
SCHEMBL13005536 0.82 ROCK2 (0.40)
SCHEMBL13005534 0.82 ROCK2 (0.40)
SCHEMBL13005444 0.82 KCNA5 (0.51) FYN
SCHEMBL17154234 0.80 UTS2R (0.46) PRKD3PRKD1PRKD2MAP4K4PARP1
SCHEMBL13005693 0.80 ROCK2 (0.50)
SCHEMBL17155168 0.79 CAMK2D (0.52) FYNPRKD3PRKD1PRKD2RAD52

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