SCHEMBL29601453

SCHEMBL29601453

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 7/20 0.44
JAK1 P23458 7/20 0.44
TYK2 P29597 7/20 0.44
JAK3 P52333 7/20 0.44
AHR P35869 1/20 0.43
TTK P33981 1/20 0.37
RET P07949 5/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
EP300 Q09472 2/20 0.35
PIK3CG P48736 1/20 0.35
SYK P43405 1/20 0.35
EIF2AK4 Q9P2K8 1/20 0.35
CLK1 P49759 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
SCHEMBL24327333 1.00 JAK2 (0.44) JAK2JAK1TYK2JAK3AHR
SCHEMBL24327328 1.00 JAK2 (0.44) JAK2JAK1TYK2JAK3AHR
SCHEMBL24327375 0.90 JAK2 (0.40) JAK2JAK1TYK2JAK3AHR
SCHEMBL29601470 0.89 JAK2 (0.40) JAK2JAK1TYK2JAK3AHR
SCHEMBL24327357 0.89 JAK2 (0.39) JAK2JAK1TYK2JAK3RET
SCHEMBL24327390 0.89 JAK2 (0.43) JAK2JAK1TYK2JAK3TTK
SCHEMBL24328767 0.89 JAK2 (0.43) JAK2JAK1TYK2JAK3TTK
SCHEMBL24327409 0.88 JAK1 (0.41) JAK2JAK1TYK2JAK3AHR
SCHEMBL24327337 0.88 JAK2 (0.39) JAK2JAK1TYK2JAK3RET
SCHEMBL24327341 0.88 JAK2 (0.40) JAK2JAK1TYK2JAK3AHR

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
CN-114369097-A Heteroaromatic AhR inhibitors 山东轩竹医药科技有限公司 2022-04-19 CN disclosed