SCHEMBL16137602

SCHEMBL16137602

COc1ccc(CNC(=O)c2cnc3ccc(I)nc3c2Nc2ccc(C(C)(C)C#N)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 6/20 0.45
▸ CNR2 P34972 2/20 0.44
▸ MAPT P10636 2/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ EPHX2 P34913 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ NR1H4 Q96RI1 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ SLC2A1 P11166 2/20 0.40
▸ BTK Q06187 1/20 0.40
▸ EGLN1 Q9GZT9 1/20 0.40
▸ PDE2A O00408 1/20 0.39
▸ CTSL P07711 1/20 0.38
▸ CTSS P25774 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38

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
SCHEMBL15615899 0.91 MTOR (0.46) MTORCNR2MAPTMEN1KMT2A
SCHEMBL18807465 0.74 MTOR (0.52) MTOR
SCHEMBL15615969 0.71 CNR2 (0.58) CNR2SLC2A1BTK
SCHEMBL17031570 0.70 CNR2 (0.53) CNR2MAPTMEN1KMT2ANPC1
SCHEMBL14978580 0.70 DYRK1A (0.51) MTORMAPTALDH1A1
SCHEMBL8324824 0.67 GAA (0.50) KMT2ANPC1RAB9AALDH1A1
SCHEMBL8329323 0.66 GAA (0.47) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL8328847 0.66 PDE4B (0.56) MAPTMEN1KMT2ASLC2A1ALDH1A1
SCHEMBL16086154 0.66 MTOR (0.43) MTOR
Hydrochloric Acid SCHEMBL8330455 0.65 MAPT (0.55) MAPTMEN1KMT2ANPC1SLC2A1

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-2014154026-A1 PI3K AND/OR mTOR INHIBITOR PRODRUG 山东轩竹医药科技有限公司 (CN) 2014-10-02 — — WO disclosed
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