SCHEMBL6958073

SCHEMBL6958073

Cc1nc(Nc2ccc(F)cc2)nc(N2CCc3cc(OC(=O)c4cc(F)c(Cl)cc4Cl)ccc3C2C)c1C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.33
MAPK1 P28482 3/20 0.32
LCK P06239 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
CHRNA3 P32297 1/20 0.31
RORC P51449 1/20 0.31
MAPT P10636 1/20 0.31
EGFR P00533 1/20 0.31
FYN P06241 1/20 0.31
PDGFRB P09619 1/20 0.31
FGFR1 P11362 1/20 0.31
PDGFRA P16234 1/20 0.31
PRKACA P17612 1/20 0.31
FGFR2 P21802 1/20 0.31
FGFR4 P22455 1/20 0.31
FGFR3 P22607 1/20 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
SCHEMBL6964427 0.92 KMT2A (0.35) KMT2AMAPK1SMN1; SMN2NPSR1RORC
SCHEMBL6962863 0.91 KMT2A (0.38) KMT2ALCKSMN1; SMN2NPSR1RORC
SCHEMBL6957853 0.90 KMT2A (0.34) KMT2AMAPK1SMN1; SMN2NPSR1RORC
SCHEMBL6961464 0.90 HIF1A (0.38) KMT2AMAPK1SMN1; SMN2NPSR1MAPT
SCHEMBL6963362 0.89 KMT2A (0.34) KMT2AMAPK1SMN1; SMN2NPSR1RORC
SCHEMBL6963254 0.88 TP53 (0.33) KMT2AMAPK1SMN1; SMN2NPSR1RORC
SCHEMBL6957084 0.88 KMT2A (0.33) KMT2AMAPK1LCKSMN1; SMN2NPSR1
SCHEMBL6962207 0.87 SMN1; SMN2 (0.38) KMT2ASMN1; SMN2NPSR1HTR2AHTR2C
SCHEMBL6956125 0.87 KMT2A (0.35) KMT2AMAPK1SMN1; SMN2NPSR1RORC
SCHEMBL6965486 0.86 KMT2A (0.37) KMT2AMAPK1SMN1; SMN2NPSR1MAPT

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