SCHEMBL24327975

SCHEMBL24327975

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.39
PIK3CG P48736 1/20 0.38
RET P07949 3/20 0.38
SYK P43405 2/20 0.38
EIF2AK4 Q9P2K8 1/20 0.38
JAK2 O60674 2/20 0.37
JAK1 P23458 2/20 0.37
TYK2 P29597 2/20 0.37
JAK3 P52333 2/20 0.37
CLK1 P49759 3/20 0.37
AHR P35869 1/20 0.37
LRRK2 Q5S007 2/20 0.36
MAPKAPK2 P49137 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL29601134 0.92 PIK3CG (0.38) CHEK1PIK3CGRETSYKEIF2AK4
SCHEMBL24327888 0.92 PIK3CG (0.38) CHEK1PIK3CGRETSYKEIF2AK4
SCHEMBL28724034 0.92 JAK2 (0.41) CHEK1PIK3CGRETSYKEIF2AK4
SCHEMBL24327974 0.92 JAK2 (0.41) CHEK1PIK3CGRETSYKEIF2AK4
SCHEMBL29601470 0.88 JAK2 (0.40) PIK3CGRETSYKEIF2AK4JAK2
SCHEMBL24327357 0.87 JAK2 (0.39) PIK3CGRETSYKEIF2AK4JAK2
SCHEMBL24327328 0.85 JAK2 (0.44) PIK3CGRETSYKEIF2AK4JAK2
SCHEMBL24327772 0.85 JAK2 (0.38) CHEK1PIK3CGRETSYKEIF2AK4
SCHEMBL24327333 0.85 JAK2 (0.44) PIK3CGRETSYKEIF2AK4JAK2
SCHEMBL29601453 0.85 JAK2 (0.44) PIK3CGRETSYKEIF2AK4JAK2

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