SCHEMBL18251085

SCHEMBL18251085

C=CC(=O)N1CC[C@@H](C#Cc2nc(Nc3ccc(N4CCC(N5CCN(C)CC5)CC4)cc3)c(C(N)=O)nc2-c2cccc(OC)c2C#N)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 11/20 0.55
▸ RET P07949 8/20 0.44
▸ ROS1 P08922 8/20 0.44
▸ FLT3 P36888 8/20 0.44
▸ EML4 Q9HC35 6/20 0.44
▸ ALK Q9UM73 6/20 0.44
▸ BMPR1B O00238 1/20 0.41
▸ PLK4 O00444 1/20 0.41
▸ CIT O14578 1/20 0.41
▸ AURKA O14965 1/20 0.41
▸ GAK O14976 1/20 0.41
▸ EPHB6 O15197 1/20 0.41
▸ RIPK2 O43353 1/20 0.41
▸ BUB1 O43683 1/20 0.41
▸ SNRNP200 O75643 1/20 0.41
▸ STK16 O75716 1/20 0.41
▸ STK10 O94804 1/20 0.41
▸ MAP4K4 O95819 1/20 0.41
▸ LATS1 O95835 1/20 0.41
▸ SLC25A5 P05141 1/20 0.41

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
SCHEMBL16207355 0.89 EGFR (0.58) EGFRRETROS1FLT3EML4
SCHEMBL16195624 0.82 EML4 (0.52) EGFRRETROS1FLT3EML4
SCHEMBL25561973 0.81 FLT3 (0.66) EGFRRETROS1FLT3EML4
SCHEMBL16207304 0.79 EML4 (0.53) EGFRRETROS1FLT3EML4
SCHEMBL16207110 0.77 EGFR (0.66) EGFRRETROS1FLT3EML4
SCHEMBL16207109 0.74 EGFR (0.70) EGFRRETROS1FLT3EML4
SCHEMBL16207107 0.74 EGFR (0.66) EGFRRETROS1FLT3EML4
SCHEMBL25561977 0.73 RET (0.68) EGFRRETROS1FLT3EML4
SCHEMBL16207099 0.72 EGFR (0.67) EGFRRETROS1FLT3EML4
SCHEMBL16207100 0.72 EGFR (0.67) EGFRRETROS1FLT3EML4

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-B1 PYRAZINE CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC (JP) 2016-11-23 — — EP disclosed
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