SCHEMBL7464530

SCHEMBL7464530

COc1cccc2cnc(C(=O)Nc3ccc4[nH]c(C(=O)N5C[C@@H](CCl)c6c5cc(OC(=O)N5CCN(C)CC5)c5[nH]c(C(F)(F)F)c(C(=O)O)c65)cc4c3)cc12

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SYK P43405 8/20 0.34
ABCB1 P08183 6/20 0.33
HRH4 Q9H3N8 4/20 0.32
IRAK4 Q9NWZ3 1/20 0.31
RAF1 P04049 1/20 0.31
NTRK1 P04629 1/20 0.31
BRAF P15056 1/20 0.31
DDR1 Q08345 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
SCHEMBL7470149 0.93 SYK (0.36) SYK
SCHEMBL7470446 0.90 SYK (0.35) SYKHRH4
SCHEMBL7461868 0.90 ABCB1 (0.32) ABCB1
SCHEMBL7467851 0.89 SYK (0.36) SYKABCB1
SCHEMBL7464789 0.88 KDM4E (0.36) SYKABCB1HRH4
SCHEMBL7473667 0.85 PYGL (0.33) ABCB1
SCHEMBL7461465 0.84 ABCB1 (0.33) SYKABCB1HRH4
Hydrochloric Acid SCHEMBL7466838 0.84 SYK (0.36) SYKABCB1
SCHEMBL7468511 0.83 HRH4 (0.36) SYKABCB1HRH4
Hydrochloric Acid SCHEMBL7462551 0.83 FLT3 (0.37) SYKABCB1HRH4

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-0656360-B1 TRIFLUOROMETHYLPYRROLOINDOLE CARBOXYLIC ESTER DERIVATIVE AND PROCESS FOR PRODUCING THE SAME KYORIN SEIYAKU KK (JP) 2002-11-20 EP disclosed
US-5629430-A ANTICARCINOGENIC AGENTS KYORIN PHARMACEUTICAL CO., LTD. (JP) 1997-05-13 US disclosed
EP-0656360-A1 TRIFLUOROMETHYLPYRROLOINDOLE CARBOXYLIC ESTER DERIVATIVE AND PROCESS FOR PRODUCING THE SAME KYORIN PHARMACEUTICAL CO., LTD. (JP) 1995-06-07 EP disclosed