SCHEMBL7837069

SCHEMBL7837069

CCOC(=O)c1cn(-c2nc(F)cs2)c2nc(N3CCC(NC(=O)OC(C)(C)C)C3)ccc2c1=O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAP4K4 O95819 2/20 0.39
SUV39H2 Q9H5I1 10/20 0.38
PDE10A Q9Y233 2/20 0.38
KMT2A Q03164 1/20 0.38
JAK3 P52333 1/20 0.37
BTK Q06187 1/20 0.37

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
SCHEMBL2093489 0.84 MAP4K4 (0.43) SYKMAP4K4SUV39H2PDE10AJAK3
SCHEMBL7836956 0.81 HRH2 (0.39) SYKMAP4K4SUV39H2PDE10A
SCHEMBL13282845 0.77 OPRK1 (0.40) KDM4EHPGDKMT2A
SCHEMBL7833450 0.76 KMT2A (0.45) KDM4EHPGDCYP2C19KMT2A
Hydrochloric Acid SCHEMBL7837985 0.73 KMT2A (0.51) KMT2A
SCHEMBL2092020 0.73 OPRK1 (0.40) KDM4EHPGDSUV39H2PDE10AKMT2A
SCHEMBL2093718 0.73 OPRK1 (0.40) KDM4EHPGDSUV39H2PDE10AKMT2A
SCHEMBL7835307 0.72 PRKD3 (0.40) KDM4EHPGDCYP2C19MAP4K4KMT2A
SCHEMBL761092 0.72 ALDH1A1 (0.39) KDM4EHPGDCYP2C19KMT2A
SCHEMBL2093348 0.70 SUV39H2 (0.40) SUV39H2PDE10A

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-0787726-B1 NOVEL COMPOUND, PROCESS FOR PRODUCING THE SAME, AND ANTITUMOR AGENT DAINIPPON PHARMACEUTICAL CO (JP) 2001-11-28 EP disclosed
US-5817669-A A COMPOUND CONTAINING 1-(2-THIAZOLYL)-1,8-NAPHTHYRIDINE-3-CARBOXYLIC ACID DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1998-10-06 US disclosed
EP-0787726-A1 NOVEL COMPOUND, PROCESS FOR PRODUCING THE SAME, AND ANTITUMOR AGENT DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1997-08-06 EP disclosed