SCHEMBL24327327

SCHEMBL24327327

Cc1nnc2c(-c3cnn(C)c3)nc(-c3ccc(C(F)(F)F)cc3)cn12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEK Q02763 2/20 0.47
EPHB4 P54760 1/20 0.47
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
HPGD P15428 1/20 0.42
NFKB1 P19838 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NPBWR1 P48145 1/20 0.41
ADORA2A P29274 1/20 0.38
SCD O00767 2/20 0.38
KDR P35968 1/20 0.37
TYK2 P29597 2/20 0.37
TLR8 Q9NR97 1/20 0.37
MET P08581 4/20 0.37
KCNH2 Q12809 1/20 0.36
JAK2 O60674 1/20 0.35

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
SCHEMBL24327879 0.86 TEK (0.45) TEKEPHB4NPBWR1ADORA2ASCD
SCHEMBL24327329 0.81 EPHB4 (0.42) TEKEPHB4NPBWR1SCDTYK2
SCHEMBL24327878 0.79 EPHB4 (0.42) TEKEPHB4NPBWR1SCDTYK2
SCHEMBL24328759 0.79 TEK (0.41) TEKEPHB4NPBWR1SCDKDR
SCHEMBL24328762 0.77 TRPV3 (0.40) TEKEPHB4SCDTYK2KCNH2
SCHEMBL24327773 0.74 KCNH2 (0.55) TEKEPHB4NPBWR1KCNH2FGFR2
SCHEMBL24328691 0.71 EPHB4 (0.46) TEKEPHB4NPBWR1TYK2TLR8
SCHEMBL29498914 0.71 EPHB4 (0.46) TEKEPHB4NPBWR1TYK2TLR8
SCHEMBL24327883 0.71 TEK (0.46) TEKEPHB4NPBWR1ADORA2ASCD
SCHEMBL24328751 0.71 IRAK1 (0.43) TEKEPHB4KDM4EKDRTYK2

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
WO-2022078356-A1 HETEROAROMATIC AHR INHIBITOR 山东轩竹医药科技有限公司 2022-04-21 WO disclosed