SCHEMBL14715533

SCHEMBL14715533

COc1ccc(NC(=O)c2ccc(C)c(-c3nc(N)nc4ccccc34)c2)c(OC)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
KDM4E B2RXH2 1/20 0.58
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
LMNA P02545 1/20 0.51
AHR P35869 1/20 0.51
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
P4HTM Q9NXG6 1/20 0.50
MAPT P10636 2/20 0.49
ADORA3 P0DMS8 1/20 0.48
POLB P06746 2/20 0.48
CYP1A1 P04798 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP1B1 Q16678 1/20 0.47
ADORA2A P29274 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL14715462 0.93 ALDH1A1 (0.58) ALDH1A1KDM4ESMN1; SMN2NPC1LMNA
SCHEMBL14715519 0.85 ADORA2A (0.50) ALDH1A1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL14715543 0.84 LCK (0.49) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL14715473 0.84 ADORA2A (0.45) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL14715491 0.79 MAPT (0.47) ALDH1A1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL14715517 0.79 POLB (0.58) ALDH1A1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL5489114 0.78 LCK (0.61) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL14715496 0.76 PLAU (0.53) ALDH1A1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL14715638 0.73 ADORA2A (0.46) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL11568558 0.73 MEN1 (0.80) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A

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-1836174-B2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2019-10-02 EP disclosed
EP-1836174-B1 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2013-02-27 EP disclosed