SCHEMBL5505380

SCHEMBL5505380

O=Cc1ccc2ncc3nc[nH]c3c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 6/20 0.44
IP6K3 Q96PC2 2/20 0.44
IP6K2 Q9UHH9 1/20 0.44
PARP1 P09874 6/20 0.37
CHEK1 O14757 1/20 0.37
PIM1 P11309 1/20 0.37
AKT1 P31749 1/20 0.37
FLT3 P36888 1/20 0.37
PIM3 Q86V86 1/20 0.37
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
NPC1 O15118 2/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 2/20 0.36
P2RY14 Q15391 1/20 0.36
KIF11 P52732 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL4197466 0.79 IP6K1 (0.68) IP6K1IP6K3IP6K2PARP1CHEK1
SCHEMBL30434581 0.79 IP6K1 (0.68) IP6K1IP6K3IP6K2PARP1CHEK1
SCHEMBL25021728 0.76 PARP1 (0.60) PARP1CHEK1PIM1AKT1FLT3
SCHEMBL12182684 0.76 PARP1 (0.60) IP6K1PARP1CHEK1PIM1AKT1
SCHEMBL5790916 0.76 PARP1 (0.60) IP6K1PARP1CHEK1PIM1AKT1
SCHEMBL16618906 0.74 SLC2A1 (0.49) IP6K1IP6K3IP6K2PARP1CHEK1
Formic Acid SCHEMBL10727380 0.73 PDPK1 (0.50) IP6K1IP6K3IP6K2PARP1KDM4E
SCHEMBL1418704 0.73 HDAC1 (0.56) KDM4EKMT2AALDH1A1POLBP2RY14
SCHEMBL4365076 0.73 IP6K1 (0.38) IP6K1IP6K3IP6K2PARP1CHEK1
Formic Acid SCHEMBL10738924 0.72 PDPK1 (0.49) IP6K1IP6K3IP6K2PARP1KDM4E

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-1845988-A2 SUBSTITUTED IMIDAZOQUINOLINES AND IMIDAZONAPHTHYRIDINES 3M Innovative Properties Company (US) 2007-10-24 EP disclosed
WO-2006091394-A2 SUBSTITUTED IMIDAZOQUINOLINES AND IMIDAZONAPHTHYRIDINES COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-08-31 WO disclosed