SCHEMBL6962636

SCHEMBL6962636

Cc1nc(Nc2ccc(F)cc2)nc(N2CCc3ccc(OC(=O)c4cccc5ccccc45)cc3C2C)c1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1D1 P20393 2/20 0.34
EGFR P00533 1/20 0.34
KMT2A Q03164 3/20 0.33
PARP1 P09874 1/20 0.32
MAPT P10636 4/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
NPSR1 Q6W5P4 2/20 0.32
KDM4E B2RXH2 2/20 0.32
HPGD P15428 2/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
HTR1A P08908 1/20 0.32
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32
HTR1F P30939 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
SCHEMBL6962832 0.95 NR1D1 (0.34) NR1D1EGFRKMT2AMAPTSMN1; SMN2
SCHEMBL6961519 0.91 KMT2A (0.33) EGFRKMT2AMAPTSMN1; SMN2NPSR1
SCHEMBL6961880 0.91 KMT2A (0.38) EGFRKMT2AMAPTSMN1; SMN2NPSR1
SCHEMBL6970019 0.89 SMN1; SMN2 (0.37) EGFRKMT2AMAPTSMN1; SMN2NPSR1
SCHEMBL6957761 0.87 TP53 (0.40) KMT2AMAPTSMN1; SMN2NPSR1HTR1A
SCHEMBL6963254 0.87 TP53 (0.33) EGFRKMT2AMAPTSMN1; SMN2NPSR1
SCHEMBL6966508 0.86 KMT2A (0.37) EGFRKMT2AMAPTSMN1; SMN2NPSR1
SCHEMBL6962863 0.86 KMT2A (0.38) KMT2AMAPTSMN1; SMN2NPSR1KDM4E
SCHEMBL6954411 0.86 SMN1; SMN2 (0.39) EGFRKMT2AMAPTSMN1; SMN2NPSR1
SCHEMBL6961033 0.85 SRD5A1 (0.36) SMN1; SMN2

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