SCHEMBL10327053

SCHEMBL10327053

CNc1nc(N)nc(SCC(=O)Nc2cccc(C(F)(F)F)c2)c1N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.55
▸ LMNA P02545 5/20 0.55
▸ GAA P10253 2/20 0.54
▸ KMT2A Q03164 3/20 0.53
▸ TSHR P16473 1/20 0.53
▸ KDM4E B2RXH2 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ SMN1; SMN2 Q16637 5/20 0.50
▸ TP53 P04637 2/20 0.50
▸ HTT P42858 2/20 0.50
▸ POLB P06746 1/20 0.50
▸ NPSR1 Q6W5P4 3/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ HPGD P15428 2/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ PPARG P37231 1/20 0.49
▸ NCOA2 Q15596 1/20 0.49
▸ THRB P10828 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ XBP1 P17861 1/20 0.49

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
SCHEMBL966884 0.89 MAPT (0.54) MAPTLMNAGAAKMT2ATSHR
SCHEMBL964536 0.88 KMT2A (0.61) MAPTLMNAGAAKMT2ATSHR
SCHEMBL10327149 0.85 LMNA (0.53) MAPTLMNAGAAKMT2ATSHR
SCHEMBL12947374 0.80 MAPT (0.52) MAPTLMNAGAAKMT2ATSHR
SCHEMBL10327506 0.80 SMN1; SMN2 (0.47) MAPTLMNAGAAKMT2ATSHR
SCHEMBL964265 0.80 KMT2A (0.78) MAPTLMNAGAAKMT2ATSHR
SCHEMBL963620 0.79 LMNA (0.52) MAPTLMNAGAAKMT2ATSHR
SCHEMBL968558 0.79 LMNA (0.56) MAPTLMNAGAAKMT2ATSHR
SCHEMBL10327348 0.79 AKT1 (0.52) MAPTLMNAGAAKDM4EALDH1A1
SCHEMBL10327084 0.78 LMNA (0.52) MAPTLMNAGAAKMT2ATSHR

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
EP-1678168-B1 P70S6 KINASE MODULATORS AND METHOD OF USE EXELIXIS INC (US) 2012-07-11 — — EP disclosed
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