SCHEMBL18251071

SCHEMBL18251071

C=CC(=O)N[C@H]1CCCC[C@H]1Nc1nc(Nc2ccc(N3CCC(N4CCN(C)CC4)CC3)cc2)c(C=O)nc1CC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 11/20 0.55
▸ ROS1 P08922 11/20 0.55
▸ FLT3 P36888 11/20 0.55
▸ EML4 Q9HC35 10/20 0.55
▸ ALK Q9UM73 10/20 0.55
▸ EGFR P00533 6/20 0.54
▸ JAK3 P52333 1/20 0.46
▸ BMPR1B O00238 1/20 0.44
▸ PLK4 O00444 1/20 0.44
▸ CIT O14578 1/20 0.44
▸ AURKA O14965 1/20 0.44
▸ GAK O14976 1/20 0.44
▸ EPHB6 O15197 1/20 0.44
▸ RIPK2 O43353 1/20 0.44
▸ BUB1 O43683 1/20 0.44
▸ SNRNP200 O75643 1/20 0.44
▸ STK16 O75716 1/20 0.44
▸ STK10 O94804 1/20 0.44
▸ MAP4K4 O95819 1/20 0.44
▸ LATS1 O95835 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
SCHEMBL16207106 0.90 RET (0.70) RETROS1FLT3EML4ALK
SCHEMBL16207095 0.90 RET (0.70) RETROS1FLT3EML4ALK
SCHEMBL16207102 0.90 RET (0.70) RETROS1FLT3EML4ALK
SCHEMBL18251090 0.89 EML4 (0.60) RETROS1FLT3EML4ALK
SCHEMBL18251102 0.85 EGFR (0.61) RETROS1FLT3EML4ALK
SCHEMBL16258233 0.84 EGFR (0.51) RETROS1FLT3EML4ALK
SCHEMBL18251078 0.81 EGFR (0.60) RETROS1FLT3EML4ALK
SCHEMBL16258229 0.81 EGFR (0.60) RETROS1FLT3EML4ALK
SCHEMBL16195726 0.80 EML4 (0.76) RETROS1FLT3EML4ALK
SCHEMBL16258220 0.80 EGFR (0.57) RETROS1FLT3EML4ALK

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
Send feedback