SCHEMBL29101810

SCHEMBL29101810

Cc1cc2nc(-c3ccccc3)c(=O)[nH]c2cc1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.64
KDM4E B2RXH2 4/20 0.64
NPC1 O15118 3/20 0.64
MAPK8 P45983 1/20 0.55
MAPK9 P45984 1/20 0.55
MAPK10 P53779 1/20 0.55
PDGFRB P09619 1/20 0.50
FGFR1 P11362 1/20 0.50
KDR P35968 1/20 0.50
STK33 Q9BYT3 1/20 0.49
ATM Q13315 2/20 0.49
ERAP1 Q9NZ08 1/20 0.49
ERBB2 P04626 1/20 0.48
POLB P06746 1/20 0.46
PDE10A Q9Y233 1/20 0.46
CHEK1 O14757 1/20 0.46
METAP2 P50579 1/20 0.46
METAP1 P53582 1/20 0.46
CBFB Q13951 1/20 0.46
MEN1 O00255 2/20 0.45

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
SCHEMBL2630604 0.89 RAB9A (0.74) RAB9AKDM4ENPC1POLBMEN1
SCHEMBL29101804 0.88 RAB9A (0.66) RAB9AKDM4ENPC1MAPK8MAPK9
SCHEMBL8873758 0.81 KDM4E (0.64) RAB9AKDM4ENPC1STK33POLB
SCHEMBL28081555 0.80 RAB9A (0.68) RAB9AKDM4ENPC1MAPK8MAPK9
SCHEMBL29820118 0.78 RAB9A (1.00) RAB9AKDM4ENPC1STK33PDE10A
SCHEMBL1901480 0.78 RAB9A (1.00) RAB9AKDM4ENPC1STK33PDE10A
SCHEMBL30637068 0.77 KDM4E (0.68) RAB9AKDM4ENPC1MAPK8MAPK9
SCHEMBL29101814 0.77 KDM4E (0.68) RAB9AKDM4ENPC1MAPK8MAPK9
SCHEMBL30637067 0.77 KDM4E (0.67) RAB9AKDM4ENPC1MAPK9ATM
SCHEMBL29101816 0.77 KDM4E (0.67) RAB9AKDM4ENPC1MAPK9ATM

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
CN-116987039-A Synthesis method of 3-substituted quinoxaline-2 (1H) -ketone derivative 福建医科大学 2023-11-03 CN disclosed