SCHEMBL6957847

SCHEMBL6957847

Cc1nc(Nc2ccc(F)cc2)nc(N2CCc3cc(OC(=O)COCc4ccccc4)ccc3C2C)c1C

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
GHSR Q92847 8/20 0.35
MMP1 P03956 2/20 0.34
MMP2 P08253 2/20 0.34
MMP7 P09237 2/20 0.34
MMP9 P14780 2/20 0.34
MMP12 P39900 2/20 0.34
MMP14 P50281 2/20 0.34
MMP15 P51511 2/20 0.34
MMP16 P51512 2/20 0.34
MMP26 Q9NRE1 2/20 0.34
RORC P51449 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
EGFR P00533 2/20 0.33
GRM5 P41594 1/20 0.33
KCNH3 Q9ULD8 1/20 0.33
CCKBR P32239 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
SCHEMBL6955632 0.94 EGFR (0.33) GRIN1GRIN2BGHSRLMNATP53
SCHEMBL6968906 0.88 GPR6 (0.38) LMNATP53
SCHEMBL6956604 0.87 KMT2A (0.35) RORCTP53EGFR
Hydrochloric Acid SCHEMBL6965930 0.87 GPR6 (0.37) GRIN1GRIN2BLMNA
SCHEMBL6961412 0.86 SMN1; SMN2 (0.37) LMNATP53KCNH3
SCHEMBL6958886 0.86 POLB (0.38) GHSRRORCLMNATP53EGFR
SCHEMBL6965486 0.85 KMT2A (0.37) TP53EGFR
SCHEMBL6962260 0.85 SLC2A1 (0.40) LMNATP53EGFRKCNH3
Hydrochloric Acid SCHEMBL6967948 0.85 MC4R (0.34) GRIN1GRIN2BGHSRLMNATP53
Hydrochloric Acid SCHEMBL6967954 0.85 MC4R (0.34) GRIN1GRIN2BGHSRLMNATP53

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