SCHEMBL10270583

SCHEMBL10270583

CC(C)(CO)NC(=O)[C@H]1CC[C@@H](n2/c(=N/C(=O)c3ccc(F)cc3)[nH]c3ccc(CN4CCCCC4)cc32)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 14/20 0.48
SPR P35270 1/20 0.47
NTRK1 P04629 1/20 0.43
INSR P06213 1/20 0.43
LCK P06239 1/20 0.43
LTK P29376 1/20 0.43
AXL P30530 1/20 0.43
FLT3 P36888 1/20 0.43
IRAK1 P51617 1/20 0.43
MAP4K2 Q12851 1/20 0.43
MERTK Q12866 1/20 0.43
ACKR3 P25106 5/20 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
SCHEMBL573309 0.93 ALK (0.41) ALKSPRNTRK1INSRLCK
SCHEMBL573311 0.93 ALK (0.41) ALKSPRNTRK1INSRLCK
SCHEMBL573310 0.93 ALK (0.41) ALKSPRNTRK1INSRLCK
SCHEMBL572454 0.92 ALK (0.51) ALKNTRK1INSRLCKLTK
SCHEMBL572455 0.92 ALK (0.51) ALKNTRK1INSRLCKLTK
SCHEMBL572456 0.92 ALK (0.51) ALKNTRK1INSRLCKLTK
SCHEMBL572822 0.90 ALK (0.52) ALKSPRNTRK1INSRLCK
SCHEMBL572819 0.90 ALK (0.52) ALKSPRNTRK1INSRLCK
SCHEMBL572820 0.90 ALK (0.52) ALKSPRNTRK1INSRLCK
SCHEMBL572821 0.90 ALK (0.52) ALKSPRNTRK1INSRLCK

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
WO-2012018668-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE AMGEN INC. (US) 2012-02-09 WO disclosed