SCHEMBL5147410

SCHEMBL5147410

Cc1ccsc1-c1ccnc(NCCN2C(=O)NC(C)(C)C2=O)n1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.41
HPGD P15428 1/20 0.41
CDK2 P24941 1/20 0.40
CLK1 P49759 1/20 0.40
PLA2G7 Q13093 1/20 0.36
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
KDM4E B2RXH2 1/20 0.35
RAF1 P04049 1/20 0.34
BRAF P15056 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL5147395 0.89 CDK2 (0.38) ALDH1A1CDK2CLK1PLA2G7SMN1; SMN2
SCHEMBL2974386 0.84 ALDH1A1 (0.41) ALDH1A1HPGDCDK2CLK1RAF1
SCHEMBL5148871 0.82 ALDH1A1 (0.40) ALDH1A1CDK2CLK1PLA2G7RAB9A
SCHEMBL5147372 0.82 CLK1 (0.41) ALDH1A1CDK2CLK1PLA2G7SMN1; SMN2
SCHEMBL5147359 0.82 ALDH1A1 (0.45) ALDH1A1HPGDCDK2CLK1PLA2G7
SCHEMBL5147312 0.82 IKBKB (0.42) ALDH1A1CDK2CLK1PLA2G7RAB9A
SCHEMBL5181846 0.80 AKT3 (0.37) ALDH1A1CDK2CLK1PLA2G7SMN1; SMN2
SCHEMBL2977868 0.79 BRAF (0.47) ALDH1A1HPGDCDK2CLK1RAB9A
SCHEMBL5147457 0.79 ALDH1A1 (0.40) ALDH1A1CDK2CLK1RAB9ASMN1; SMN2
SCHEMBL5147468 0.78 SMN1; SMN2 (0.40) ALDH1A1CDK2CLK1PLA2G7RAB9A

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