SCHEMBL20910169

SCHEMBL20910169

CC(=O)NNC(=O)C(C)(C)n1cc(C)cn1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
LMNA P02545 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HSD17B10 Q99714 1/20 0.33
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NOS1 P29475 1/20 0.32
TP53 P04637 1/20 0.31
ALPL P05186 1/20 0.31
KAT6A Q92794 3/20 0.31
TGM2 P21980 1/20 0.31
TGM1 P22735 1/20 0.31
KMT2A Q03164 2/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL20899330 0.83 AR (0.31) TP53
SCHEMBL18645249 0.81 LRRK2 (0.41) ALDH1A1LMNAKDM4EHSD17B10HTT
SCHEMBL20910330 0.77 LMNA (0.36) ALDH1A1LMNAKDM4EHSD17B10HTT
SCHEMBL12837968 0.75 LMNA (0.44) ALDH1A1LMNAKDM4EHSD17B10NOS1
SCHEMBL15601835 0.75 EGLN1 (0.37) ALDH1A1LMNAHTTSMN1; SMN2KMT2A
SCHEMBL13390165 0.75 HCRTR1 (0.38) ALDH1A1LMNAKDM4EHSD17B10HTT
SCHEMBL12837966 0.74 NOS1 (0.44) ALDH1A1NOS1TGM2TGM1
SCHEMBL15601838 0.74 LRRK2 (0.34) ALDH1A1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL15601827 0.73 GCGR (0.38) ALDH1A1LMNAKDM4EHTTSMN1; SMN2
SCHEMBL24354406 0.70 KDM4E (0.34) ALDH1A1LMNAKDM4EHSD17B10NOS1

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
WO-2019074962-A1 PYRROLOTRIAZINE COMPOUNDS AND METHODS OF INHIBITING TAM KINASES SYROS PHARMACEUTICALS, INC. (US) 2019-04-18 WO disclosed