SCHEMBL1979707

SCHEMBL1979707

Cn1cc(-c2cc3c(cn2)[nH]c2ccc(OC4CCC4)c(Br)c23)cn1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 17/20 0.44
PIM3 Q86V86 4/20 0.43
PIM2 Q9P1W9 4/20 0.43
MAPT P10636 1/20 0.41
CHEK1 O14757 1/20 0.41
ACHE P22303 1/20 0.41
LRRK2 Q5S007 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
SCHEMBL12597612 0.88 PIM1 (0.44) PIM1PIM3PIM2MAPTCHEK1
SCHEMBL1979339 0.87 CHUK (0.51) PIM1PIM3PIM2MAPTCHEK1
SCHEMBL1983392 0.83 PIM1 (0.45) PIM1PIM3PIM2MAPTCHEK1
SCHEMBL1984089 0.82 PIM1 (0.44) PIM1PIM3PIM2MAPTCHEK1
SCHEMBL2031456 0.82 PIM1 (0.39) PIM1PIM3PIM2MAPTCHEK1
SCHEMBL1981543 0.81 PIM1 (0.49) PIM1PIM3PIM2MAPTCHEK1
SCHEMBL1983422 0.81 CHEK1 (0.42) PIM1PIM3PIM2MAPTCHEK1
SCHEMBL12597376 0.76 PIM1 (0.48) PIM1PIM3PIM2MAPTCHEK1
SCHEMBL12597806 0.75 GSK3B (0.39) PIM1CHEK1LRRK2
SCHEMBL12597810 0.75 AXL (0.37) CHEK1ACHE

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-2011070299-A1 TRI-SUBSTITUTED 9H-BETA-CARBOLINE (OR 9H-PYRIDO[3,4-B]INDOLE) DERIVATIVES, PREPARATION OF SAME AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-06-16 WO disclosed