SCHEMBL6955562

SCHEMBL6955562

Cc1nc(Nc2ccc(F)cc2)nc(N2CCc3cc(OC(=O)c4cccc(C(F)(F)F)c4)ccc3C2C)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.37
SRD5A2 P31213 1/20 0.37
ABL1 P00519 4/20 0.36
LCK P06239 2/20 0.36
KDR P35968 2/20 0.36
MAPK14 Q16539 2/20 0.36
CSF1R P07333 2/20 0.36
SRC P12931 2/20 0.36
FYN P06241 1/20 0.36
LYN P07948 1/20 0.36
MAPK9 P45984 1/20 0.36
TEK Q02763 1/20 0.36
BCR P11274 2/20 0.36
TNK2 Q07912 2/20 0.36
MAP4K2 Q12851 2/20 0.36
APP P05067 2/20 0.36
GRIN2C Q14957 1/20 0.36
DAPK1 P53355 1/20 0.36
JAK2 O60674 1/20 0.35
RAF1 P04049 1/20 0.35

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
SCHEMBL6961033 0.95 SRD5A1 (0.36) SRD5A1SRD5A2ABL1LCKKDR
SCHEMBL6964622 0.93 SMN1; SMN2 (0.37) SRD5A1SRD5A2APP
SCHEMBL6959003 0.93 TP53 (0.41) SRD5A1SRD5A2
SCHEMBL6961412 0.92 SMN1; SMN2 (0.37) ABL1LCKSRCFYNBCR
SCHEMBL6957582 0.91 CCNE1 (0.39) GRIN2C
SCHEMBL6957189 0.89 SMN1; SMN2 (0.37) SRD5A1SRD5A2LCKKDRMAPK14
SCHEMBL6958506 0.89 SMN1; SMN2 (0.39) SRD5A1SRD5A2SRC
SCHEMBL6958156 0.89 CDC7 (0.35) JAK2
SCHEMBL6957761 0.87 TP53 (0.40) SRD5A1SRD5A2
SCHEMBL6962207 0.87 SMN1; SMN2 (0.38) SRCJAK2

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