SCHEMBL5147457

SCHEMBL5147457

Cc1cc(-c2ccnc(NCCN3C(=O)NC(C)(C)C3=O)n2)sc1Cl

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 3/20 0.37
CDK2 P24941 1/20 0.37
CLK1 P49759 1/20 0.37
HTT P42858 2/20 0.36
EIF2AK2 P19525 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 2/20 0.35
MAPK3 P27361 1/20 0.35
LMNA P02545 2/20 0.35

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
SCHEMBL5179013 0.92 ALDH1A1 (0.42) ALDH1A1RAB9ASMN1; SMN2NPC1MEN1
SCHEMBL5182109 0.89 ALDH1A1 (0.42) ALDH1A1RAB9ASMN1; SMN2NPC1MEN1
SCHEMBL5147468 0.86 SMN1; SMN2 (0.40) ALDH1A1RAB9ASMN1; SMN2NPC1MEN1
SCHEMBL5147312 0.86 IKBKB (0.42) ALDH1A1RAB9ASMN1; SMN2CDK2CLK1
SCHEMBL2986435 0.85 MAPK3 (0.38) CDK2CLK1EIF2AK2MAPK1MAPK3
SCHEMBL5147462 0.83 ALDH1A1 (0.42) ALDH1A1RAB9ASMN1; SMN2NPC1MEN1
SCHEMBL5147268 0.82 CDK2 (0.37) ALDH1A1SMN1; SMN2CDK2CLK1HTT
SCHEMBL5181846 0.82 AKT3 (0.37) ALDH1A1SMN1; SMN2CDK2CLK1HTT
SCHEMBL5148362 0.81 CDK2 (0.39) CDK2CLK1MAPK1MAPK3
SCHEMBL5147363 0.80 IKBKB (0.36) ALDH1A1SMN1; SMN2MEN1KMT2AGAA

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