SCHEMBL6049545

SCHEMBL6049545

O=C(Nc1ccon1)Nc1sccc1-c1ccncc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAPDH P04406 1/20 0.45
RAB9A P51151 3/20 0.45
POLB P06746 2/20 0.45
KMT2A Q03164 5/20 0.43
MEN1 O00255 3/20 0.43
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
ATM Q13315 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
LMNA P02545 1/20 0.40
EPHX2 P34913 1/20 0.39
USP2 O75604 1/20 0.39
MAPT P10636 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 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
SCHEMBL668091 0.78 FLT3 (0.56) RAB9AKMT2AMEN1NPC1ATM
SCHEMBL6049551 0.76 KMT2A (0.47) GAPDHRAB9APOLBKMT2AMEN1
SCHEMBL668123 0.73 MAPK14 (0.47) RAB9APOLBNPC1SMN1; SMN2ALDH1A1
SCHEMBL5575770 0.72 RAF1 (0.56) ALDH1A1
SCHEMBL5575736 0.69 RAF1 (0.45) ALDH1A1
SCHEMBL668594 0.69 MAPK14 (0.51) ALDH1A1
SCHEMBL667127 0.68 SMN1; SMN2 (0.37) RAB9APOLBKMT2AMEN1NPC1
SCHEMBL667134 0.68 MAPK14 (0.59) LMNAMAPT
Pyrazine SCHEMBL29635954 0.67 RAB9A (0.53) GAPDHRAB9APOLBKMT2AMEN1
SCHEMBL28206763 0.65 RAB9A (0.54) RAB9APOLBKMT2AMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1041982-A4 INHIBITION OF p38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER PHARMACEUTICALS CORP (US) 2006-06-14 EP disclosed
EP-1041982-A1 INHIBITION OF p38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS Bayer Corporation (US) 2000-10-11 EP disclosed
WO-1999032111-A1 INHIBITION OF p38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER CORPORATION (US) 1999-07-01 WO disclosed