SCHEMBL3460011

SCHEMBL3460011

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRK2 P25098 1/20 0.44
▸ MAPT P10636 7/20 0.41
▸ LMNA P02545 7/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ XBP1 P17861 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ KMT2A Q03164 5/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ HPGD P15428 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ NPSR1 Q6W5P4 3/20 0.41
▸ GAA P10253 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ THRB P10828 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ TSHR P16473 1/20 0.38

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
SCHEMBL964028 0.94 LMNA (0.44) MAPTLMNAALDH1A1XBP1KMT2A
SCHEMBL965220 0.91 GRK2 (0.47) GRK2MAPTLMNAALDH1A1XBP1
SCHEMBL965312 0.91 GRK2 (0.47) GRK2MAPTLMNAALDH1A1XBP1
SCHEMBL3460785 0.86 GRK2 (0.47) GRK2MAPTLMNAALDH1A1XBP1
SCHEMBL968750 0.85 KMT2A (0.52) GRK2MAPTLMNAALDH1A1KMT2A
SCHEMBL965577 0.84 ALDH1A1 (0.44) GRK2MAPTLMNAALDH1A1XBP1
SCHEMBL965578 0.84 ALDH1A1 (0.44) GRK2MAPTLMNAALDH1A1XBP1
SCHEMBL965219 0.84 ALDH1A1 (0.47) GRK2MAPTLMNAALDH1A1XBP1
SCHEMBL967168 0.84 ALDH1A1 (0.47) GRK2MAPTLMNAALDH1A1XBP1
SCHEMBL967167 0.84 ALDH1A1 (0.47) GRK2MAPTLMNAALDH1A1XBP1

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
US-7816353-B2 P70S6 kinase modulators and method of use EXELIXIS, INC. (US) 2010-10-19 — — US disclosed
Send feedback