SCHEMBL10327048

SCHEMBL10327048

CSc1nc(N)nc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.55
▸ MEN1 O00255 5/20 0.54
▸ KMT2A Q03164 5/20 0.54
▸ MAPT P10636 5/20 0.54
▸ GAA P10253 1/20 0.54
▸ XBP1 P17861 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ ALDH1A1 P00352 2/20 0.46
▸ POLB P06746 2/20 0.46
▸ NTRK1 P04629 1/20 0.45
▸ NTRK2 Q16620 1/20 0.45
▸ LMNA P02545 5/20 0.45
▸ HTT P42858 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ THRB P10828 2/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ USP2 O75604 1/20 0.45
▸ PKM P14618 1/20 0.44
▸ HPGD P15428 1/20 0.44

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
SCHEMBL968560 0.90 SMN1; SMN2 (0.52) SMN1; SMN2MEN1KMT2AMAPTGAA
SCHEMBL965888 0.89 SMN1; SMN2 (0.51) SMN1; SMN2MEN1KMT2AMAPTGAA
SCHEMBL967015 0.88 KMT2A (0.56) SMN1; SMN2MEN1KMT2AMAPTGAA
SCHEMBL966931 0.82 SMN1; SMN2 (0.57) SMN1; SMN2MEN1KMT2AMAPTGAA
SCHEMBL10327382 0.82 SMN1; SMN2 (0.46) SMN1; SMN2MEN1KMT2AMAPTGAA
SCHEMBL10327240 0.82 SMN1; SMN2 (0.46) SMN1; SMN2MEN1KMT2AMAPTGAA
SCHEMBL10327506 0.81 SMN1; SMN2 (0.47) SMN1; SMN2MEN1KMT2AMAPTGAA
SCHEMBL969360 0.81 SMN1; SMN2 (0.56) SMN1; SMN2MEN1KMT2AMAPTGAA
SCHEMBL10327353 0.80 SMN1; SMN2 (0.41) SMN1; SMN2MEN1KMT2AMAPTGAA
SCHEMBL10327151 0.80 LMNA (0.45) SMN1; SMN2MEN1KMT2AMAPTGAA

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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