SCHEMBL6961519

SCHEMBL6961519

Cc1nc(Nc2ccc(F)cc2)nc(N2CCc3ccc(OC(=O)c4cccc(F)c4F)cc3C2C)c1C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.33
CDK2 P24941 4/20 0.33
CCNE1 P24864 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CDK9 P50750 3/20 0.33
CCNT1 O60563 2/20 0.33
GALR2 O43603 1/20 0.32
TP53 P04637 2/20 0.32
RXFP1 Q9HBX9 1/20 0.32
MAPT P10636 1/20 0.32
MARK3 P27448 1/20 0.32
EGFR P00533 2/20 0.32
FYN P06241 1/20 0.32
PDGFRB P09619 1/20 0.32
FGFR1 P11362 1/20 0.32
PDGFRA P16234 1/20 0.32
PRKACA P17612 1/20 0.32
FGFR2 P21802 1/20 0.32
FGFR4 P22455 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
SCHEMBL6963254 0.95 TP53 (0.33) KMT2ACDK2CCNE1SMN1; SMN2NPSR1
SCHEMBL6962636 0.91 NR1D1 (0.34) KMT2ACDK2SMN1; SMN2NPSR1CDK9
SCHEMBL6961880 0.90 KMT2A (0.38) KMT2ACDK2SMN1; SMN2NPSR1CDK9
SCHEMBL6963362 0.90 KMT2A (0.34) KMT2ACDK2CCNE1SMN1; SMN2NPSR1
SCHEMBL6957761 0.89 TP53 (0.40) KMT2ACDK2CCNE1SMN1; SMN2NPSR1
SCHEMBL6970019 0.89 SMN1; SMN2 (0.37) KMT2ACDK2CCNE1SMN1; SMN2NPSR1
SCHEMBL6966508 0.88 KMT2A (0.37) KMT2ACDK2CCNE1SMN1; SMN2NPSR1
SCHEMBL6957853 0.87 KMT2A (0.34) KMT2ACDK2CCNE1SMN1; SMN2NPSR1
SCHEMBL6956125 0.87 KMT2A (0.35) KMT2ACDK2CCNE1SMN1; SMN2NPSR1
SCHEMBL6954411 0.87 SMN1; SMN2 (0.39) KMT2ACDK2CCNE1SMN1; 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 5 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
EP-1015444-A1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION, LTD. (KR) 2000-07-05 EP disclosed
WO-1998043968-A1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 1998-10-08 WO disclosed