SCHEMBL3459623

SCHEMBL3459623

CSc1nc(N(C)C)nc(NC(=O)CNc2cccc(C(F)(F)F)c2)c1C#N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDH2 P48735 1/20 0.42
▸ MAPT P10636 5/20 0.41
▸ TP53 P04637 4/20 0.41
▸ RXFP1 Q9HBX9 2/20 0.41
▸ LMNA P02545 5/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ HPGD P15428 2/20 0.41
▸ THRB P10828 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ALDH1A1 P00352 5/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SYK P43405 1/20 0.40
▸ GRK2 P25098 1/20 0.40
▸ RECQL P46063 1/20 0.39

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
SCHEMBL3459621 0.93 MAPT (0.45) IDH2MAPTTP53RXFP1LMNA
SCHEMBL966533 0.88 MAPT (0.42) IDH2MAPTTP53RXFP1LMNA
SCHEMBL968750 0.88 KMT2A (0.52) MAPTTP53RXFP1LMNAKMT2A
SCHEMBL10327463 0.81 LMNA (0.46) IDH2MAPTTP53LMNAKMT2A
SCHEMBL966531 0.80 MAPT (0.46) IDH2MAPTTP53RXFP1LMNA
SCHEMBL968748 0.80 KMT2A (0.57) MAPTTP53RXFP1LMNAKMT2A
SCHEMBL3459098 0.78 IDH2 (0.52) IDH2MAPTTP53LMNAKMT2A
SCHEMBL967987 0.76 MAPT (0.44) MAPTTP53RXFP1LMNAKMT2A
SCHEMBL3459093 0.74 IDH2 (0.52) IDH2MAPTTP53LMNAKMT2A
SCHEMBL3459112 0.74 HPGD (0.46) MAPTTP53RXFP1LMNAKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1678168-B1 P70S6 KINASE MODULATORS AND METHOD OF USE EXELIXIS INC (US) 2012-07-11 — — EP claimed
US-7816353-B2 P70S6 kinase modulators and method of use EXELIXIS, INC. (US) 2010-10-19 — — US disclosed
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