SCHEMBL6961880

SCHEMBL6961880

Cc1nc(Nc2ccc(F)cc2)nc(N2CCc3ccc(OC(=O)c4ccccc4Cl)cc3C2C)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.38
MET P08581 7/20 0.35
ALK Q9UM73 7/20 0.35
MEN1 O00255 2/20 0.34
ESR1 P03372 1/20 0.34
PKM P14618 1/20 0.34
ESR2 Q92731 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
POLB P06746 2/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
STAT3 P40763 1/20 0.34
HTT P42858 1/20 0.34
NR1I2 O75469 1/20 0.33
RORA P35398 1/20 0.33
RORC P51449 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 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
SCHEMBL6962863 0.94 KMT2A (0.38) KMT2AMETALKMEN1ESR1
SCHEMBL6962636 0.91 NR1D1 (0.34) KMT2AMEN1SMN1; SMN2MAPTKDM4E
SCHEMBL6961519 0.90 KMT2A (0.33) KMT2AMETSMN1; SMN2MAPTNR1I2
SCHEMBL6970019 0.89 SMN1; SMN2 (0.37) KMT2AMEN1SMN1; SMN2MAPTKDM4E
SCHEMBL6966508 0.87 KMT2A (0.37) KMT2AMEN1SMN1; SMN2MAPTCYP1A2
SCHEMBL6957761 0.87 TP53 (0.40) KMT2AMEN1ESR1ESR2SMN1; SMN2
SCHEMBL6954411 0.86 SMN1; SMN2 (0.39) KMT2AMEN1SMN1; SMN2MAPTKDM4E
SCHEMBL6960905 0.86 KMT2A (0.35) KMT2AMEN1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL6963254 0.86 TP53 (0.33) KMT2ASMN1; SMN2MAPTNR1I2RORA
SCHEMBL6962832 0.85 NR1D1 (0.34) KMT2AMEN1SMN1; SMN2MAPTKDM4E

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