SCHEMBL18251076

SCHEMBL18251076

C=CC(=O)N1CCN(c2nc(Nc3ccc(N4CCC(N5CCN(C)CC5)CC4)cc3)c(C=O)nc2CC)[C@@H](C)C1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 10/20 0.59
▸ RET P07949 4/20 0.49
▸ ROS1 P08922 4/20 0.49
▸ FLT3 P36888 4/20 0.49
▸ EML4 Q9HC35 2/20 0.49
▸ ALK Q9UM73 2/20 0.49
▸ BTK Q06187 6/20 0.43
▸ JAK3 P52333 4/20 0.43
▸ VHL P40337 1/20 0.42

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
SCHEMBL16207086 0.90 EGFR (0.73) EGFRRETROS1FLT3EML4
SCHEMBL16207085 0.90 EGFR (0.73) EGFRRETROS1FLT3EML4
SCHEMBL18251102 0.85 EGFR (0.61) EGFRRETROS1FLT3EML4
SCHEMBL18251097 0.84 EGFR (0.59) EGFRRETROS1FLT3EML4
SCHEMBL16258229 0.84 EGFR (0.60) EGFRRETROS1FLT3EML4
SCHEMBL18251078 0.82 EGFR (0.60) EGFRRETROS1FLT3EML4
SCHEMBL16207181 0.82 EGFR (0.67) EGFRRETROS1FLT3EML4
SCHEMBL16258220 0.81 EGFR (0.57) EGFRRETROS1FLT3EML4
SCHEMBL18251096 0.81 EGFR (0.51) EGFRRETROS1FLT3EML4
SCHEMBL16207088 0.80 EGFR (0.74) 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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