SCHEMBL24327409

SCHEMBL24327409

C[C@@H](CO)Nc1nc2c(-c3cnn(C4CC4)c3)nc(-c3ccc(Cl)cc3)cn2n1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 18/20 0.41
JAK3 P52333 18/20 0.41
TYK2 P29597 17/20 0.41
JAK2 O60674 15/20 0.41
AXL P30530 1/20 0.37
FLT3 P36888 1/20 0.37
TYRO3 Q06418 1/20 0.37
MERTK Q12866 1/20 0.37
AHR P35869 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
SCHEMBL24327345 0.90 JAK1 (0.40) JAK1JAK3TYK2JAK2AXL
SCHEMBL29601453 0.88 JAK2 (0.44) JAK1JAK3TYK2JAK2AHR
SCHEMBL24327328 0.88 JAK2 (0.44) JAK1JAK3TYK2JAK2AHR
SCHEMBL24327333 0.88 JAK2 (0.44) JAK1JAK3TYK2JAK2AHR
SCHEMBL29498928 0.83 JAK1 (0.35) JAK1JAK3TYK2JAK2AXL
SCHEMBL24327375 0.79 JAK2 (0.40) JAK1JAK3TYK2JAK2AHR
SCHEMBL24327408 0.79 AHR (0.36) JAK1JAK3TYK2JAK2AHR
SCHEMBL29601470 0.78 JAK2 (0.40) JAK1JAK3TYK2JAK2AHR
SCHEMBL24328767 0.78 JAK2 (0.43) JAK1JAK3TYK2JAK2
SCHEMBL24327390 0.78 JAK2 (0.43) JAK1JAK3TYK2JAK2

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
WO-2022078356-A1 HETEROAROMATIC AHR INHIBITOR 山东轩竹医药科技有限公司 2022-04-21 WO disclosed
CN-114369097-A Heteroaromatic AhR inhibitors 山东轩竹医药科技有限公司 2022-04-19 CN disclosed