SCHEMBL10327463

SCHEMBL10327463

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ KMT2A Q03164 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ RECQL P46063 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ IDH2 P48735 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ GAA P10253 2/20 0.43
▸ XBP1 P17861 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ TSHR P16473 1/20 0.42
▸ SYK P43405 1/20 0.41
▸ CAMK1D Q8IU85 1/20 0.41

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
SCHEMBL10327506 0.89 SMN1; SMN2 (0.47) LMNAALDH1A1KMT2AMEN1MAPT
SCHEMBL10327153 0.87 SMN1; SMN2 (0.46) LMNAALDH1A1KMT2AMEN1MAPT
SCHEMBL3459621 0.86 MAPT (0.45) LMNAALDH1A1KMT2AMEN1MAPT
SCHEMBL3459623 0.81 IDH2 (0.42) LMNAALDH1A1KMT2AMEN1MAPT
SCHEMBL3459093 0.80 IDH2 (0.52) LMNAALDH1A1KMT2AMEN1MAPT
SCHEMBL966073 0.79 SMN1; SMN2 (0.46) LMNAALDH1A1KMT2AMEN1MAPT
SCHEMBL964028 0.78 LMNA (0.44) LMNAALDH1A1KMT2AMEN1MAPT
SCHEMBL968748 0.77 KMT2A (0.57) LMNAALDH1A1KMT2AMEN1MAPT
SCHEMBL965578 0.76 ALDH1A1 (0.44) LMNAALDH1A1KMT2AMEN1MAPT
SCHEMBL967168 0.76 ALDH1A1 (0.47) LMNAALDH1A1KMT2AMEN1MAPT

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
Send feedback