SCHEMBL6444939

SCHEMBL6444939

N#Cc1c(NCc2ccc(C(F)(F)F)cc2)nc(N)nc1-c1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.53
HIF1A Q16665 5/20 0.44
KDM4E B2RXH2 2/20 0.40
PIK3CD O00329 3/20 0.40
EPHX2 P34913 1/20 0.39
CHUK O15111 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
EGFR P00533 1/20 0.39
AURKA O14965 1/20 0.38
RPS6KB1 P23443 1/20 0.38
AURKB Q96GD4 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
GPR39 O43194 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
SCHEMBL6445919 0.88 HIF1A (0.51) APPHIF1AKDM4ECHUKALDH1A1
SCHEMBL6444686 0.82 RAB9A (0.42) APPKDM4EPIK3CDALDH1A1
SCHEMBL6443145 0.82 HIF1A (0.56) APPHIF1AKDM4EPIK3CDALDH1A1
SCHEMBL5040159 0.80 ADORA2A (0.50) APPHIF1AKDM4EALDH1A1HPGD
SCHEMBL6446516 0.78 METAP1 (0.48) HIF1AKDM4EPIK3CDALDH1A1HPGD
SCHEMBL6446629 0.77 APP (0.47) APPKDM4EEPHX2CHUKALDH1A1
SCHEMBL6449459 0.75 APP (0.52) APPKDM4EEPHX2CHUKALDH1A1
SCHEMBL7892769 0.73 DHFR (0.39) KDM4EPIK3CDALDH1A1HPGD
SCHEMBL6443545 0.73 ADORA1 (0.63) APPCHUK
SCHEMBL8043537 0.72 HIF1A (0.77) HIF1AKDM4E

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
EP-1261327-B1 ADENOSINE RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2005-04-27 EP disclosed