SCHEMBL6958886

SCHEMBL6958886

COc1cccc(CC(=O)Oc2ccc3c(c2)CCN(c2nc(Nc4ccc(F)cc4)nc(C)c2C)C3C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
GHSR Q92847 1/20 0.36
MAPT P10636 2/20 0.35
LMNA P02545 2/20 0.35
PDGFRB P09619 2/20 0.35
PDGFRA P16234 2/20 0.35
KCNH3 Q9ULD8 1/20 0.35
PKM P14618 1/20 0.35
KMT2A Q03164 2/20 0.35
TP53 P04637 1/20 0.35
RORC P51449 2/20 0.35
FPR1 P21462 1/20 0.34
FPR2 P25090 1/20 0.34
EGFR P00533 1/20 0.34
FYN P06241 1/20 0.34
FGFR1 P11362 1/20 0.34
PRKACA P17612 1/20 0.34
FGFR2 P21802 1/20 0.34
FGFR4 P22455 1/20 0.34
FGFR3 P22607 1/20 0.34

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
SCHEMBL6960659 0.95 POLB (0.38) POLBMAPTLMNAPDGFRBPDGFRA
SCHEMBL6962260 0.94 SLC2A1 (0.40) MAPTLMNAPDGFRBPDGFRAKCNH3
SCHEMBL6962677 0.88 SLC2A1 (0.40) MAPTPDGFRBPDGFRAKCNH3KMT2A
SCHEMBL6956604 0.87 KMT2A (0.35) MAPTPDGFRBPDGFRAKMT2ATP53
Hydrochloric Acid SCHEMBL6964992 0.86 CA1 (0.40) POLBMAPTLMNAPDGFRBPDGFRA
SCHEMBL6957847 0.86 GRIN1 (0.36) GHSRLMNAKCNH3TP53RORC
SCHEMBL6967118 0.86 KCNH3 (0.36) POLBMAPTPDGFRBPDGFRAKCNH3
SCHEMBL6965486 0.85 KMT2A (0.37) MAPTPDGFRBPDGFRAKMT2ATP53
SCHEMBL6968906 0.85 GPR6 (0.38) POLBMAPTLMNAKMT2ATP53
SCHEMBL6957796 0.85 MAPT (0.35) MAPTLMNAPDGFRBPDGFRAKMT2A

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