SCHEMBL21186103

SCHEMBL21186103

COc1ccnc(C(=O)Nc2nc3ccc(Oc4ccccc4)nc3s2)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCK P08631 6/20 0.45
BTK Q06187 6/20 0.45
SCD O00767 1/20 0.41
ABL1 P00519 1/20 0.41
MET P08581 1/20 0.41
KDR P35968 2/20 0.40
PDGFRB P09619 1/20 0.40
KIT P10721 1/20 0.40
FLT1 P17948 1/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 2/20 0.40
PKM P14618 1/20 0.40
PAX8 Q06710 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL31683921 0.91 ABL1 (0.43) ABL1METNPC1RAB9APKM
SCHEMBL23719992 0.91 ABL1 (0.43) ABL1METNPC1RAB9APKM
SCHEMBL21186127 0.91 NPC1 (0.45) HCKSCDABL1METKDR
SCHEMBL25500996 0.89 ABL1 (0.42) ABL1METKDRPDGFRBKIT
SCHEMBL23719991 0.88 ABL1 (0.41) ABL1KDRPDGFRBKITFLT1
SCHEMBL31683882 0.88 ABL1 (0.41) ABL1KDRPDGFRBKITFLT1
SCHEMBL25501004 0.86 BUB1 (0.41) ABL1KDRPDGFRBKITFLT1
SCHEMBL23719997 0.85 ROCK2 (0.39) ABL1NPC1RAB9APKMPAX8
SCHEMBL31683885 0.85 ROCK2 (0.39) ABL1NPC1RAB9APKMPAX8
SCHEMBL21186406 0.85 KMT2A (0.40) SCDKDRPDGFRBKITFLT1

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-2019141980-A1 AGRICULTURAL CHEMICALS GLOBACHEM NV (BE) 2019-07-25 WO disclosed