SCHEMBL24539484

SCHEMBL24539484

Cn1cc(-c2nc(-c3ccc(Cl)cc3)cn3nc(CCO)nc23)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 9/20 0.41
JAK1 P23458 9/20 0.41
TYK2 P29597 9/20 0.41
JAK3 P52333 8/20 0.41
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
RET P07949 4/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 3/20 0.37
NPC1 O15118 3/20 0.37
MAPT P10636 3/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL24539407 0.86 JAK2 (0.45) JAK2JAK1TYK2JAK3CNR1
SCHEMBL24539406 0.86 JAK2 (0.45) JAK2JAK1TYK2JAK3CNR1
SCHEMBL29732784 0.83 FGFR3 (0.44) JAK2JAK1TYK2JAK3CNR1
SCHEMBL24327398 0.82 JAK2 (0.39) JAK2JAK1TYK2JAK3CNR1
SCHEMBL24327971 0.82 JAK2 (0.39) JAK2JAK1TYK2JAK3CNR1
SCHEMBL28724036 0.81 JAK2 (0.42) JAK2JAK1TYK2JAK3RET
SCHEMBL24539477 0.81 JAK2 (0.46) JAK2JAK1TYK2JAK3CNR1
SCHEMBL29733004 0.81 MAPT (0.42) JAK2JAK1TYK2JAK3CNR1
SCHEMBL24327769 0.81 JAK2 (0.41) JAK2JAK1TYK2JAK3CNR1
SCHEMBL24539588 0.79 JAK2 (0.44) JAK2JAK1TYK2JAK3CNR1

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-2022127753-A1 FUSED RING AHR INHIBITOR 山东轩竹医药科技有限公司 2022-06-23 WO disclosed