SCHEMBL474985

SCHEMBL474985

Cn1cc(-c2cc3c(cn2)[nH]c2ncc(F)c(-c4ccc([C]=O)cc4)c23)cn1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.46
ACHE P22303 1/20 0.46
PIM1 P11309 8/20 0.45
MAPT P10636 5/20 0.44
MAP4K1 Q92918 4/20 0.40
NTRK1 P04629 2/20 0.40
KIT P10721 2/20 0.40
FLT3 P36888 2/20 0.40
PIM3 Q86V86 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
CLK2 P49760 1/20 0.38
CLK3 P49761 1/20 0.38
DYRK1A Q13627 1/20 0.38
WNT1 P04628 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
SCHEMBL11908677 0.86 CHEK1 (0.47) CHEK1ACHEPIM1MAPTMAP4K1
SCHEMBL11907789 0.85 CHEK1 (0.47) CHEK1ACHEPIM1MAPTMAP4K1
SCHEMBL473714 0.85 MKNK1 (0.46) CHEK1ACHEPIM1MAPTMAP4K1
SCHEMBL1560881 0.84 CHEK1 (0.44) CHEK1ACHEPIM1MAPTMAP4K1
SCHEMBL474870 0.82 PIM1 (0.38) CHEK1ACHEPIM1PIM3PIM2
SCHEMBL1560490 0.82 MAPT (0.53) CHEK1ACHEPIM1MAPTMAP4K1
SCHEMBL474337 0.81 PIM1 (0.45) CHEK1ACHEPIM1MAPTPIM3
SCHEMBL473640 0.81 CHEK1 (0.43) CHEK1ACHEPIM1MAPTMAP4K1
SCHEMBL2216343 0.81 PIM1 (0.45) CHEK1ACHEPIM1MAPTMAP4K1
SCHEMBL2219568 0.81 ACHE (0.43) CHEK1ACHEPIM1MAPTMAP4K1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411389-A2 9H-PYRROLO[2,3-B: 5,4-C']DIPYRIDINE AZACARBOLINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-01 EP disclosed
WO-2010109084-A2 9H-PYRROLO[2,3-B: 5,4-C'] DIPYRIDINE AZACARBOLINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-09-30 WO disclosed