SCHEMBL16258233

SCHEMBL16258233

C=CC(=O)NC1CCCN(c2nc(Nc3ccc(N4CCC(N5CCN(C)CC5)CC4)cc3)c(C=O)nc2CC)CC1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 11/20 0.51
▸ RET P07949 4/20 0.49
▸ ROS1 P08922 4/20 0.49
▸ FLT3 P36888 4/20 0.49
▸ EML4 Q9HC35 3/20 0.49
▸ ALK Q9UM73 3/20 0.49
▸ JAK3 P52333 3/20 0.48
▸ BTK Q06187 3/20 0.44
▸ KCNH2 Q12809 1/20 0.44

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
SCHEMBL16207192 0.90 EGFR (0.64) EGFRRETROS1FLT3EML4
SCHEMBL16207091 0.85 EGFR (0.64) EGFRRETROS1FLT3EML4
SCHEMBL18251071 0.84 RET (0.55) EGFRRETROS1FLT3EML4
SCHEMBL16207338 0.83 EGFR (0.65) EGFRRETROS1FLT3EML4
SCHEMBL16207316 0.83 EGFR (0.65) EGFRRETROS1FLT3EML4
SCHEMBL16207075 0.82 EGFR (0.66) EGFRRETROS1FLT3EML4
SCHEMBL18251097 0.80 EGFR (0.59) EGFRRETROS1FLT3EML4
SCHEMBL18251076 0.80 EGFR (0.59) EGFRRETROS1FLT3EML4
SCHEMBL18251102 0.79 EGFR (0.61) EGFRRETROS1FLT3EML4
SCHEMBL18251096 0.78 EGFR (0.51) 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-A1 PYRAZINE CARBOXAMIDE COMPOUND Astellas Pharma Inc. (JP) 2014-11-26 — — EP disclosed
Send feedback