SCHEMBL16258180

SCHEMBL16258180

CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(N4CCN(C)CC4)CC3)cc2)nc1OC1CCN(C(=O)OC(C)(C)C)[C@@H]2CC[C@H]12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 6/20 0.60
▸ EML4 Q9HC35 13/20 0.56
▸ ALK Q9UM73 13/20 0.56
▸ RET P07949 10/20 0.56
▸ ROS1 P08922 10/20 0.56
▸ FLT3 P36888 10/20 0.56
▸ BMPR1B O00238 1/20 0.47
▸ PLK4 O00444 1/20 0.47
▸ CIT O14578 1/20 0.47
▸ AURKA O14965 1/20 0.47
▸ GAK O14976 1/20 0.47
▸ EPHB6 O15197 1/20 0.47
▸ RIPK2 O43353 1/20 0.47
▸ BUB1 O43683 1/20 0.47
▸ SNRNP200 O75643 1/20 0.47
▸ STK16 O75716 1/20 0.47
▸ STK10 O94804 1/20 0.47
▸ MAP4K4 O95819 1/20 0.47
▸ LATS1 O95835 1/20 0.47
▸ SLC25A5 P05141 1/20 0.47

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
SCHEMBL16206990 0.87 EGFR (0.62) EGFREML4ALKRETROS1
SCHEMBL16206915 0.85 EGFR (0.75) EGFREML4ALKRETROS1
SCHEMBL16206957 0.84 EGFR (0.67) EGFREML4ALKRETROS1
SCHEMBL16206675 0.84 EGFR (0.80) EGFREML4ALKRETROS1
SCHEMBL16206984 0.83 EGFR (0.57) EGFREML4ALKRETROS1
SCHEMBL16206774 0.83 EGFR (0.79) EGFREML4ALKRETROS1
SCHEMBL16258296 0.82 EGFR (0.65) EGFREML4ALKRETROS1
SCHEMBL16206970 0.82 EGFR (0.70) EGFREML4ALKRETROS1
SCHEMBL16195397 0.82 EGFR (0.70) EGFREML4ALKRETROS1
SCHEMBL16206997 0.81 EGFR (0.63) EGFREML4ALKRETROS1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2805940-A1 PYRAZINE CARBOXAMIDE COMPOUND Astellas Pharma Inc. (JP) 2014-11-26 — — EP disclosed
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