SCHEMBL6962832

SCHEMBL6962832

Cc1nc(Nc2ccc(F)cc2)nc(N2CCc3cc(OC(=O)c4cccc5ccccc45)ccc3C2C)c1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1D1 P20393 2/20 0.34
EGFR P00533 2/20 0.34
MAPT P10636 4/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
TP53 P04637 4/20 0.33
MAPK1 P28482 3/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 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
SCHEMBL6962636 0.95 NR1D1 (0.34) NR1D1EGFRMAPTKMT2AMEN1
SCHEMBL6962863 0.91 KMT2A (0.38) MAPTKMT2AMEN1SMN1; SMN2NPSR1
SCHEMBL6963254 0.90 TP53 (0.33) EGFRMAPTKMT2ASMN1; SMN2NPSR1
SCHEMBL6964427 0.89 KMT2A (0.35) EGFRMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL6961412 0.89 SMN1; SMN2 (0.37) MAPTKMT2ASMN1; SMN2NPSR1TP53
SCHEMBL6961464 0.89 HIF1A (0.38) EGFRMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL6957853 0.88 KMT2A (0.34) EGFRMAPTKMT2ASMN1; SMN2NPSR1
SCHEMBL6963362 0.88 KMT2A (0.34) EGFRMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL6956125 0.88 KMT2A (0.35) EGFRMAPTKMT2ASMN1; SMN2NPSR1
SCHEMBL6959003 0.87 TP53 (0.41) MAPTKMT2AMEN1SMN1; SMN2NPSR1

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-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