SCHEMBL5148871

SCHEMBL5148871

CC1(C)NC(=O)N(CCNc2nccc(-c3scc(Br)c3Br)n2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.40
CDK2 P24941 1/20 0.40
CLK1 P49759 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PLA2G7 Q13093 1/20 0.35
HTT P42858 2/20 0.35
MAPT P10636 1/20 0.35
FPR2 P25090 1/20 0.34
MKNK1 Q9BUB5 2/20 0.33

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
SCHEMBL5147388 0.87 ALDH1A1 (0.41) ALDH1A1CDK2CLK1SMN1; SMN2NPC1
SCHEMBL2986650 0.85 CDK2 (0.37) CDK2CLK1MKNK1
SCHEMBL5147410 0.82 ALDH1A1 (0.41) ALDH1A1CDK2CLK1SMN1; SMN2RAB9A
SCHEMBL5147395 0.82 CDK2 (0.38) ALDH1A1CDK2CLK1SMN1; SMN2PLA2G7
SCHEMBL5182109 0.79 ALDH1A1 (0.42) ALDH1A1CDK2CLK1SMN1; SMN2NPC1
SCHEMBL5147359 0.79 ALDH1A1 (0.45) ALDH1A1CDK2CLK1SMN1; SMN2NPC1
SCHEMBL5147312 0.79 IKBKB (0.42) ALDH1A1CDK2CLK1SMN1; SMN2RAB9A
SCHEMBL5147284 0.78 ALDH1A1 (0.36) ALDH1A1CDK2CLK1HTT
SCHEMBL5147468 0.77 SMN1; SMN2 (0.40) ALDH1A1CDK2CLK1SMN1; SMN2NPC1
SCHEMBL5181846 0.77 AKT3 (0.37) ALDH1A1CDK2CLK1SMN1; SMN2PLA2G7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831207-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2007-09-12 EP disclosed
WO-2006066172-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE AMGEN, INC. (US) 2006-06-22 WO disclosed