SCHEMBL5140915

SCHEMBL5140915

CSc1nc(N)cc(NCC(=O)Nc2cccc(C(F)(F)F)c2)c1/C=N\O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 6/20 0.47
▸ MAPT P10636 5/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ RECQL P46063 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ HPGD P15428 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ HTT P42858 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ GRK2 P25098 1/20 0.42
▸ GAA P10253 2/20 0.42
▸ XBP1 P17861 2/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ TSHR P16473 1/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ CHIT1 Q13231 1/20 0.40
▸ HDAC3 O15379 1/20 0.39
▸ HDAC1 Q13547 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
SCHEMBL5140916 1.00 LMNA (0.47) LMNAMAPTALDH1A1KMT2AMEN1
SCHEMBL965219 0.88 ALDH1A1 (0.47) LMNAMAPTALDH1A1KMT2AMEN1
SCHEMBL967167 0.88 ALDH1A1 (0.47) LMNAMAPTALDH1A1KMT2AMEN1
SCHEMBL967168 0.88 ALDH1A1 (0.47) LMNAMAPTALDH1A1KMT2AMEN1
SCHEMBL965220 0.85 GRK2 (0.47) LMNAMAPTALDH1A1KMT2AMEN1
SCHEMBL965578 0.82 ALDH1A1 (0.44) LMNAMAPTALDH1A1KMT2AMEN1
SCHEMBL965577 0.82 ALDH1A1 (0.44) LMNAMAPTALDH1A1KMT2AMEN1
SCHEMBL965311 0.82 ALDH1A1 (0.44) LMNAMAPTALDH1A1KMT2AMEN1
SCHEMBL964028 0.80 LMNA (0.44) LMNAMAPTALDH1A1KMT2AMEN1
SCHEMBL965312 0.79 GRK2 (0.47) LMNAMAPTALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1678168-A4 P70S6 KINASE MODULATORS AND METHOD OF USE EXELIXIS INC (US) 2008-09-24 — — EP disclosed
EP-1678168-A2 P70S6 KINASE MODULATORS AND METHOD OF USE Exelixis, Inc. (US) 2006-07-12 — — EP disclosed
WO-2005039506-A2 P70S6 KINASE MODULATORS AND METHOD OF USE EXELIXIS, INC. (US) 2005-05-06 — — WO disclosed
Send feedback