SCHEMBL6957189

SCHEMBL6957189

Cc1nc(Nc2ccc(F)cc2)nc(N2CCc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc3C2C)c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 1/20 0.35
SRD5A1 P18405 2/20 0.34
BTK Q06187 4/20 0.34
HTR1A P08908 1/20 0.34
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
HTR1F P30939 1/20 0.34
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
SRD5A2 P31213 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
LCK P06239 1/20 0.33
KDR P35968 1/20 0.33
MAPK14 Q16539 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
SCHEMBL6964622 0.94 SMN1; SMN2 (0.37) SMN1; SMN2NPSR1SRD5A1HTR1AHTR1D
SCHEMBL6958506 0.93 SMN1; SMN2 (0.39) SMN1; SMN2NPSR1KMT2AMEN1MAPT
SCHEMBL6962207 0.91 SMN1; SMN2 (0.38) SMN1; SMN2NPSR1KMT2AMEN1HTR1A
SCHEMBL6961412 0.91 SMN1; SMN2 (0.37) SMN1; SMN2NPSR1KMT2AMAPTCCNE1
SCHEMBL6957959 0.90 SMN1; SMN2 (0.38) SMN1; SMN2NPSR1KMT2AMEN1MAPT
SCHEMBL6955562 0.89 SRD5A1 (0.37) SRD5A1SRD5A2LCKKDRMAPK14
SCHEMBL6959003 0.89 TP53 (0.41) SMN1; SMN2NPSR1KMT2AMEN1MAPT
SCHEMBL6961241 0.88 HTR2A (0.36) SMN1; SMN2NPSR1KMT2AMEN1MAPT
SCHEMBL6958613 0.88 MAPT (0.37) SMN1; SMN2NPSR1KMT2AMEN1MAPT
SCHEMBL6958365 0.88 MAPT (0.38) SMN1; SMN2NPSR1KMT2AMAPTHTR2A

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