SCHEMBL24327384

SCHEMBL24327384

Cc1c(-c2nc(-c3ccc(Cl)cc3)cn3c(CC[C@@H](C)CO)nnc23)cnn1C

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
MAPK1 P28482 1/20 0.32
MAPT P10636 4/20 0.31
KDM4E B2RXH2 3/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
CYP11B2 P19099 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
RAB9A P51151 4/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
POLB P06746 3/20 0.31
ALDH1A1 P00352 2/20 0.31
NPC1 O15118 3/20 0.31
LMNA P02545 1/20 0.31
AHR P35869 1/20 0.31
CYP1A2 P05177 1/20 0.30

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
SCHEMBL24328754 0.85 JAK2 (0.39) AHR
SCHEMBL24327881 0.80 JAK1 (0.37)
SCHEMBL24328759 0.74 TEK (0.41) MAPK1CYP11B2
SCHEMBL24327877 0.74 JAK2 (0.36) MAPK1AHR
SCHEMBL24327408 0.73 AHR (0.36) MAPK1MAPTKDM4EMEN1KMT2A
SCHEMBL24327848 0.72 JAK2 (0.43) AHR
SCHEMBL24328756 0.72 CNR1 (0.39) CYP3A4
SCHEMBL24327399 0.65 AHR (0.41) AHR
SCHEMBL24327391 0.65 JAK2 (0.39) MAPK1AHR
SCHEMBL24327867 0.65 MAPK1 (0.42) MAPK1MAPTKDM4EMEN1KMT2A

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