SCHEMBL24327341

SCHEMBL24327341

Cn1cc(-c2nc(-c3ccc(Cl)cc3)cn3nc(N[C@H](CO)C(F)F)nc23)cn1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 7/20 0.40
JAK1 P23458 7/20 0.40
TYK2 P29597 7/20 0.40
JAK3 P52333 7/20 0.40
AHR P35869 1/20 0.36
TRPV3 Q8NET8 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
IGF1R P08069 1/20 0.34
CDK2 P24941 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
RET P07949 5/20 0.34
PIK3CG P48736 1/20 0.34
CLK1 P49759 2/20 0.33

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
SCHEMBL24327328 0.88 JAK2 (0.44) JAK2JAK1TYK2JAK3AHR
SCHEMBL24327333 0.88 JAK2 (0.44) JAK2JAK1TYK2JAK3AHR
SCHEMBL29601453 0.88 JAK2 (0.44) JAK2JAK1TYK2JAK3AHR
SCHEMBL29601470 0.85 JAK2 (0.40) JAK2JAK1TYK2JAK3AHR
SCHEMBL24327357 0.85 JAK2 (0.39) JAK2JAK1TYK2JAK3CNR1
SCHEMBL24327772 0.82 JAK2 (0.38) JAK2JAK1TYK2JAK3AHR
SCHEMBL24327398 0.82 JAK2 (0.39) JAK2JAK1TYK2JAK3AHR
SCHEMBL24328761 0.81 JAK2 (0.38) JAK2JAK1TYK2JAK3AHR
SCHEMBL24327974 0.81 JAK2 (0.41) JAK2JAK1TYK2JAK3AHR
SCHEMBL28724034 0.81 JAK2 (0.41) 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
WO-2022078356-A1 HETEROAROMATIC AHR INHIBITOR 山东轩竹医药科技有限公司 2022-04-21 WO disclosed