Sugi Predict

Sugi Predict / Compounds / SCHEMBL7020727

SCHEMBL7020727

SCHEMBL7020727

CC(C)(C)OC(=O)C(N)(c1ccccc1)c1nc2ccccc2c(=O)n1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.41
▸ RORC P51449 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ PDE10A Q9Y233 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ PDE7A Q13946 1/20 0.36
▸ PDE7B Q9NP56 1/20 0.36

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
SCHEMBL7018385 0.82 TP53 (0.46) TP53MAPK1POLBSMN1; SMN2ALDH1A1
SCHEMBL7016812 0.80 TP53 (0.46) TP53MAPK1POLBSMN1; SMN2ALDH1A1
SCHEMBL7020723 0.74 TP53 (0.43) TP53RORCPOLB
SCHEMBL7104431 0.73 ALDH1A1 (0.50) TP53MAPK1PDE10ASMN1; SMN2ALDH1A1
SCHEMBL7020798 0.73 KCNH2 (0.50) TP53
SCHEMBL7100250 0.72 MEN1 (0.60) TP53POLBALDH1A1
SCHEMBL7017817 0.72 ALDH1A1 (0.50) TP53PDE10ASMN1; SMN2ALDH1A1
SCHEMBL7017597 0.71 CXCR3 (0.44) TP53MAPK1SMN1; SMN2ALDH1A1
SCHEMBL7014520 0.71 ALDH1A1 (0.52) MAPK1PDE10ASMN1; SMN2ALDH1A1
SCHEMBL7016853 0.70 MLYCD (0.43) TP53MAPK1ALDH1A1

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-2003106435-A1 FUSED-RING PYRIMIDIN-4(3H)-ONE DERIVATIVES, PROCESSES FOR THE PREPARATION AND USES THEREOF SANKYO COMPANY, LIMITED (JP) 2003-12-24 — — WO disclosed