SCHEMBL5147397

SCHEMBL5147397

CC1(C)C(=O)NC(=O)N1CCNc1ncc(F)c(-c2cnc(NCc3ccc(F)cc3)s2)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.34
MKNK1 Q9BUB5 1/20 0.33
CYP1A2 P05177 6/20 0.33
ALDH1A1 P00352 5/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
CYP2C9 P11712 3/20 0.33
CYP2C19 P33261 3/20 0.33
CYP2D6 P10635 2/20 0.33
PTGS2 P35354 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
HTT P42858 1/20 0.33
GFER P55789 1/20 0.33
BRD4 O60885 1/20 0.32
KAT2B Q92831 1/20 0.32
USP2 O75604 5/20 0.31
CASP1 P29466 5/20 0.31

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
SCHEMBL2980191 0.89 JAK2 (0.33) CYP1A2ALDH1A1MEN1KMT2AUSP2
SCHEMBL13685201 0.85 CXCR4 (0.34) CXCR4MKNK1CYP1A2ALDH1A1MEN1
SCHEMBL2977483 0.82 MEN1 (0.31) CYP1A2ALDH1A1MEN1KMT2AUSP2
SCHEMBL13684926 0.82 SYK (0.36) LMNACDK4CCND1MAPK14
SCHEMBL5147385 0.82 MAPK1 (0.35) CXCR4MKNK1CYP1A2ALDH1A1MEN1
SCHEMBL2981463 0.81 JAK2 (0.33) CYP1A2ALDH1A1MEN1KMT2AUSP2
SCHEMBL2972242 0.80 ALDH1A1 (0.33) CXCR4CYP1A2ALDH1A1MEN1KMT2A
SCHEMBL2985862 0.79
SCHEMBL5148401 0.78 USP2 (0.32) CYP1A2ALDH1A1MEN1KMT2ACYP2C9
SCHEMBL2981319 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831207-B1 AMINOPYRIMIDINE COMPOUNDS AS PLK INHIBITORS AMGEN INC (US) 2012-11-14 EP claimed
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