SCHEMBL15908892

SCHEMBL15908892

Nc1nccn2c(C3CC(CO)C3)nc(I)c12.OCC1CC(c2ncc3c(Cl)nc(I)cn23)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 13/20 0.45
IGF1R P08069 8/20 0.37
INSR P06213 2/20 0.35
ROCK2 O75116 1/20 0.35
PRKD3 O94806 1/20 0.35
LYN P07948 1/20 0.35
RET P07949 1/20 0.35
FGFR1 P11362 1/20 0.35
RPS6KB1 P23443 1/20 0.35
FLT4 P35916 1/20 0.35
FLT3 P36888 1/20 0.35
FRK P42685 1/20 0.35
STK3 Q13188 1/20 0.35
ROCK1 Q13464 1/20 0.35
PTK6 Q13882 1/20 0.35
ERBB4 Q15303 1/20 0.35
NTRK3 Q16288 1/20 0.35
AURKB Q96GD4 1/20 0.35
PRKD2 Q9BZL6 1/20 0.35
MKNK2 Q9HBH9 1/20 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
SCHEMBL2797385 0.84 TNK2 (0.52) TNK2IGF1R
SCHEMBL3648444 0.84 PDE1C (0.33) TNK2
SCHEMBL401216 0.84 TNK2 (0.58) TNK2IGF1RINSREGFRCYP3A4
SCHEMBL10226172 0.84 TNK2 (0.58) TNK2IGF1RINSREGFRCYP3A4
SCHEMBL4541532 0.84 TNK2 (0.58) TNK2IGF1RINSREGFRCYP3A4
SCHEMBL15052317 0.79 TNK2 (0.33) TNK2
SCHEMBL400530 0.78 TNK2 (0.45) TNK2IGF1RCYP3A4
SCHEMBL3641428 0.78 TNK2 (0.36) TNK2
SCHEMBL1567075 0.76 TNK2 (0.53) TNK2IGF1RFGFR1
SCHEMBL401909 0.75 TNK2 (0.59) TNK2IGF1RINSREGFRKDR

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-8796455-B2 Fused bicyclic mTOR inhibitors OSI Pharmaceuticals, LLC (US) 2014-08-05 US disclosed