SCHEMBL5149003

SCHEMBL5149003

Cc1cccc(Sc2ccc(-c3ccnc(NCCN4C(=O)NC(C)(C)C4=O)n3)s2)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.36
CLK1 P49759 1/20 0.36
ALDH1A1 P00352 4/20 0.35
PIK3CA P42336 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 3/20 0.34
LMNA P02545 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
KDM4E B2RXH2 1/20 0.34
PKM P14618 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
RAF1 P04049 2/20 0.33
BRAF P15056 2/20 0.33
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
USP2 O75604 1/20 0.32

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
SCHEMBL2983838 0.88 PIK3CA (0.35) CDK2CLK1PIK3CAL3MBTL1KDM4E
SCHEMBL5147406 0.84 CDK2 (0.37) CDK2CLK1ALDH1A1PIK3CASMN1; SMN2
SCHEMBL5146082 0.82 CDK2 (0.35) CDK2CLK1ALDH1A1HTTLMNA
SCHEMBL5147312 0.81 IKBKB (0.42) CDK2CLK1ALDH1A1SMN1; SMN2HTT
SCHEMBL5148412 0.79 ALDH1A1 (0.37) CDK2CLK1ALDH1A1SMN1; SMN2HTT
SCHEMBL2972089 0.78 AKT3 (0.35) CDK2CLK1PIK3CAL3MBTL1KDM4E
SCHEMBL5147268 0.78 CDK2 (0.37) CDK2CLK1ALDH1A1SMN1; SMN2HTT
SCHEMBL5181846 0.78 AKT3 (0.37) CDK2CLK1ALDH1A1SMN1; SMN2HTT
SCHEMBL5147468 0.78 SMN1; SMN2 (0.40) CDK2CLK1ALDH1A1SMN1; SMN2HTT
SCHEMBL5147457 0.77 ALDH1A1 (0.40) CDK2CLK1ALDH1A1SMN1; SMN2HTT

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