SCHEMBL6962548

SCHEMBL6962548

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 6/20 0.34
IGF1R P08069 1/20 0.34
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
ITK Q08881 1/20 0.32
KMT2A Q03164 1/20 0.32
JAK2 O60674 2/20 0.32
JAK3 P52333 2/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
PTK2 Q05397 1/20 0.32
RORC P51449 3/20 0.32
MAPT P10636 1/20 0.32
EGFR P00533 1/20 0.31
NPY5R Q15761 1/20 0.31
CDK4 P11802 1/20 0.31
CCND1 P24385 1/20 0.31
CCND2 P30279 1/20 0.31
CCND3 P30281 1/20 0.31
TGFBR1 P36897 1/20 0.31

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
SCHEMBL6961325 0.94 IGF1R (0.34) IGF1RITKKMT2AJAK2JAK3
SCHEMBL6956604 0.88 KMT2A (0.35) KMT2ARORCMAPTEGFR
SCHEMBL6967338 0.86 MAPT (0.35) GHSRKMT2AJAK2JAK3PTK2
SCHEMBL6967347 0.86 MAPT (0.35) GHSRKMT2AJAK2JAK3PTK2
SCHEMBL6965486 0.86 KMT2A (0.37) KMT2AMAPTEGFR
SCHEMBL6962244 0.85 KMT2A (0.35) KMT2ARORCMAPTEGFR
SCHEMBL6957796 0.85 MAPT (0.35) KMT2AMAPTEGFR
SCHEMBL6963186 0.85 SCN9A (0.39) GHSRRORCMAPT
SCHEMBL6963190 0.85 SCN9A (0.39) GHSRRORCMAPT
SCHEMBL6958624 0.85 KMT2A (0.35) KMT2AMAPTEGFR

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