SCHEMBL16127375

SCHEMBL16127375

Cc1nc2ccc(-c3nn(C(C)C)c4ncnc(N)c34)cc2o1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BMPR1B O00238 1/20 0.86
RIPK2 O43353 1/20 0.86
STK16 O75716 1/20 0.86
STK10 O94804 1/20 0.86
MAP4K4 O95819 1/20 0.86
RET P07949 1/20 0.86
PDGFRB P09619 1/20 0.86
FGFR1 P11362 1/20 0.86
PRKCA P17252 1/20 0.86
DCK P27707 1/20 0.86
MAP2K2 P36507 1/20 0.86
FLT3 P36888 1/20 0.86
BMPR1A P36894 1/20 0.86
ACVR1B P36896 1/20 0.86
TGFBR1 P36897 1/20 0.86
CSNK1A1 P48729 1/20 0.86
CSNK1D P48730 1/20 0.86
CSNK1E P49674 1/20 0.86
CLK3 P49761 1/20 0.86
LIMK1 P53667 1/20 0.86

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
SCHEMBL16117323 0.93 BMPR1B (1.00) BMPR1BRIPK2STK16STK10MAP4K4
SCHEMBL7901532 0.90 MTOR (1.00) BMPR1BRIPK2STK16STK10MAP4K4
SCHEMBL13828403 0.86 BMPR1B (0.64) BMPR1BRIPK2STK16STK10MAP4K4
Sapanisertib SCHEMBL29351459 0.83 MTOR (1.00) BMPR1BRIPK2STK16STK10MAP4K4
Sapanisertib SCHEMBL7902875 0.83 MTOR (1.00) BMPR1BRIPK2STK16STK10MAP4K4
SCHEMBL7894772 0.83 MTOR (0.71) BMPR1BRIPK2STK16STK10MAP4K4
SCHEMBL16117324 0.82 BMPR1B (0.80) BMPR1BRIPK2STK16STK10MAP4K4
SCHEMBL3610515 0.80 SRC (1.00) BMPR1BRIPK2STK16STK10MAP4K4
SCHEMBL14574574 0.79 SRC (0.80) MTORPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL19299482 0.79 MTOR (0.77) BMPR1BRIPK2STK16STK10MAP4K4

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-2014153509-A1 COMBINATION OF CATALYTIC MTORC 1/2 INHIBITORS AND SELECTIVE INHIBITORS OF AURORA A KINASE MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-25 WO disclosed