SCHEMBL4565107

SCHEMBL4565107

O=CN1CCCCC1c1cnc2c(c1)nc(Nc1ccccc1)n2-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.38
MAPK9 P45984 3/20 0.38
SRC P12931 2/20 0.38
JAK2 O60674 1/20 0.38
ERBB2 P04626 1/20 0.38
MET P08581 1/20 0.38
KIT P10721 1/20 0.38
PRKCA P17252 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
KDR P35968 1/20 0.38
JAK3 P52333 1/20 0.38
PRKCQ Q04759 1/20 0.38
KARS1 Q15046 1/20 0.38
ERBB4 Q15303 1/20 0.38
PKN1 Q16512 1/20 0.38
MAPK14 Q16539 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
ALK Q9UM73 1/20 0.38

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
SCHEMBL8846954 0.68 CHRNB2 (0.49)
SCHEMBL4019471 0.68 CHRNB2 (0.49)
SCHEMBL8846952 0.68 CHRNB2 (0.49)
SCHEMBL1592216 0.67 CYP2D6 (0.44) SRCCDK2CCNA2PDGFRAFLT3
SCHEMBL31500122 0.67 PDE2A (0.34)
SCHEMBL8540152 0.66 CHRNB2 (0.47)
SCHEMBL8542500 0.66 CHRNB2 (0.47)
SCHEMBL8540149 0.66 CHRNB2 (0.47)
Hydrochloric Acid SCHEMBL9050213 0.65 CHRNB2 (0.46)
SCHEMBL4565102 0.64 BTK (0.38) MARK3

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-2009116074-A2 SUBSTITUTED BENZIMIDAZOLES AS CANNABINOID MODULATOR CADILA HEALTHCARE LIMITED (IN) 2009-09-24 WO disclosed