SCHEMBL7878985

SCHEMBL7878985

CBc1c(C2CCN(C(=O)[C@@H](C)O)CC2)nc2c(-c3ccc(-c4ccc(OC(F)(F)F)cc4)nc3)cnn2c1N

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 2/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ MAPK7 Q13164 10/20 0.36
▸ SCN9A Q15858 2/20 0.35
▸ NTRK1 P04629 2/20 0.35
▸ KCNH2 Q12809 2/20 0.35
▸ DPP4 P27487 1/20 0.35
▸ DPP7 Q9UHL4 1/20 0.35
▸ PIM1 P11309 1/20 0.35
▸ HTR2B P41595 1/20 0.34
▸ RPTOR Q8N122 1/20 0.34
▸ MLST8 Q9BVC4 1/20 0.34
▸ EPHX2 P34913 1/20 0.34

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
SCHEMBL10237857 0.91 CHEK1 (0.41) MTORPIK3CAMAPK7NTRK1KCNH2
SCHEMBL10234832 0.85 CHEK1 (0.40) MTORPIK3CANTRK1KCNH2PIM1
SCHEMBL10234977 0.81 MTOR (0.44) MTORPIK3CARPTORMLST8
SCHEMBL10240078 0.80 MTOR (0.43) MTORPIK3CARPTORMLST8
SCHEMBL10234815 0.80 CHEK1 (0.44) MTORPIM1RPTORMLST8
SCHEMBL10280308 0.79 MTOR (0.43) MTORPIK3CARPTORMLST8
SCHEMBL10234867 0.79 RAB9A (0.38) MTORPIK3CARPTORMLST8
SCHEMBL10234657 0.79 CHEK1 (0.45) MTORKCNH2PIM1RPTORMLST8
SCHEMBL10240026 0.78 RAB9A (0.37) MTORPIK3CARPTORMLST8
SCHEMBL10234674 0.78 MTOR (0.41) MTORPIK3CAKCNH2HTR2BRPTOR

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-2010118207-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS SCHERING CORPORATION (US) 2010-10-14 — — WO disclosed
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