SCHEMBL4104868

SCHEMBL4104868

Cc1ccc(Br)cc1-n1cnc(C(=O)Nc2nc3cc(F)ccc3[nH]2)c1C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 2/20 0.37
NPC1 O15118 8/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
PKM P14618 3/20 0.36
TP53 P04637 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ABL1 P00519 1/20 0.35
MTOR P42345 3/20 0.34
IRAK4 Q9NWZ3 2/20 0.33
MAPK14 Q16539 1/20 0.33
RECQL P46063 1/20 0.33
GAA P10253 1/20 0.32
OPRK1 P41145 1/20 0.32
KLF5 Q13887 1/20 0.32

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
SCHEMBL214517 0.93 RAB9A (0.37) RAB9AKDM4EMAPTLMNANPC1
SCHEMBL215845 0.85 IRAK4 (0.39) RAB9AKDM4EMAPTLMNANPC1
SCHEMBL214926 0.83 RAB9A (0.37) RAB9AKDM4EMAPTLMNANPC1
SCHEMBL214637 0.82 MAOB (0.49) RAB9AKDM4EMAPTLMNANPC1
SCHEMBL215374 0.80 ABL1 (0.37) RAB9AKDM4EMAPTLMNANPC1
SCHEMBL214506 0.79 MAPK14 (0.34) RAB9AKDM4EMAPTLMNANPC1
SCHEMBL214751 0.79 BTK (0.38) RAB9AKDM4EMAPTLMNANPC1
SCHEMBL214920 0.79 MAPK14 (0.42) MAPK14
Hydrochloric Acid SCHEMBL215304 0.78 MAPK14 (0.34) RAB9AKDM4EMAPTLMNANPC1
SCHEMBL213660 0.77 TOP2A (0.35) RAB9AKDM4EMAPTLMNANPC1

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-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP disclosed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 WO disclosed