SCHEMBL6957433

SCHEMBL6957433

Cc1nc(Nc2ccc(F)cc2)nc(N2CCc3cc(OC(=O)C=Cc4ccccc4)ccc3C2C)c1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
GAA P10253 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
BCHE P06276 2/20 0.34
MAPT P10636 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KCNH3 Q9ULD8 1/20 0.33
DRD2 P14416 3/20 0.33
DRD3 P35462 3/20 0.33
CA2 P00918 1/20 0.33
ABCB1 P08183 1/20 0.33
ABCG2 Q9UNQ0 1/20 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
SCHEMBL6957425 1.00 KMT2A (0.36) KMT2AGAAKDM4EMEN1MAOA
SCHEMBL6965565 0.94 KMT2A (0.35) KMT2AGAAKDM4EMEN1MAOA
SCHEMBL6965047 0.94 KMT2A (0.35) KMT2AGAAKDM4EMEN1MAOA
SCHEMBL6958023 0.90 KMT2A (0.35) KMT2AMEN1MAPTSMN1; SMN2CA2
SCHEMBL6958026 0.90 KMT2A (0.35) KMT2AMEN1MAPTSMN1; SMN2CA2
SCHEMBL6961412 0.88 SMN1; SMN2 (0.37) KMT2AMAPTSMN1; SMN2KCNH3ESR1
SCHEMBL6965486 0.87 KMT2A (0.37) KMT2AMEN1MAPTSMN1; SMN2CA2
SCHEMBL6962863 0.85 KMT2A (0.38) KMT2AKDM4EMEN1MAPTSMN1; SMN2
SCHEMBL6956125 0.85 KMT2A (0.35) KMT2AMAPTSMN1; SMN2KCNH3EGFR
SCHEMBL6962957 0.85 KMT2A (0.35) KMT2AMEN1MAPTSMN1; SMN2EGFR

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-1015444-B1 PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP LTD (KR) 2003-05-28 EP claimed
EP-1015444-B1 PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP LTD (KR) 2003-05-28 EP disclosed
US-6352993-B1 ANTIULCER AGENTS YUHAN CORPORATION (KR) 2002-03-05 US disclosed