SCHEMBL2717542

SCHEMBL2717542

CC(C)c1cccc(NC(=O)C2CCN(c3ncccc3OCc3ccnc(N)n3)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MALT1 Q9UDY8 16/20 0.52
▸ F10 P00742 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ LIMK2 P53671 1/20 0.45

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
SCHEMBL2734070 0.88 TRPV1 (0.51) MALT1F10KDM4EMEN1TP53
SCHEMBL2382968 0.87 PANK3 (0.47) LIMK2
SCHEMBL2718828 0.81 PANK3 (0.41) LIMK2
SCHEMBL4562329 0.79 KIT (0.41) MEN1KMT2ALIMK2
SCHEMBL2719147 0.78 PDGFRB (0.46) LIMK2
SCHEMBL2381703 0.77 PANK3 (0.43) LIMK2
SCHEMBL2716482 0.77 PI4KB (0.41) LIMK2
SCHEMBL2717511 0.77 PI4KB (0.53) LIMK2
SCHEMBL2386385 0.76 NPSR1 (0.41) LIMK2
SCHEMBL2719957 0.76 PANK3 (0.43) MEN1KMT2A

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
WO-2012061337-A1 FGFR2 MODULATORS EXELIXIS, INC. (US) 2012-05-10 — — WO claimed
WO-2012061337-A1 FGFR2 MODULATORS EXELIXIS, INC. (US) 2012-05-10 — — WO disclosed
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