SCHEMBL24327405

SCHEMBL24327405

C[C@@H](CO)N(C)c1nc2c(-c3cnn(C)c3)nc(-c3ccc(C(F)(F)F)cc3)cn2n1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 14/20 0.42
JAK1 P23458 14/20 0.42
TYK2 P29597 14/20 0.42
JAK3 P52333 13/20 0.42
EPHB4 P54760 1/20 0.39
TEK Q02763 1/20 0.39
TRPV3 Q8NET8 2/20 0.35
F2RL3 Q96RI0 1/20 0.34
NPBWR1 P48145 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL24327326 0.88 JAK2 (0.43) JAK2JAK1TYK2JAK3KCNH2
SCHEMBL24328767 0.82 JAK2 (0.43) JAK2JAK1TYK2JAK3EPHB4
SCHEMBL24539587 0.82 JAK2 (0.43) JAK2JAK1TYK2JAK3EPHB4
SCHEMBL24539461 0.81 JAK2 (0.42) JAK2JAK1TYK2JAK3EPHB4
SCHEMBL24539590 0.81 JAK2 (0.42) JAK2JAK1TYK2JAK3EPHB4
SCHEMBL24327786 0.78 JAK1 (0.39) JAK2JAK1TYK2JAK3
SCHEMBL24328770 0.77 EPHB4 (0.41) JAK2JAK1TYK2JAK3EPHB4
SCHEMBL24327771 0.76 TEK (0.43) JAK2JAK1TYK2JAK3EPHB4
SCHEMBL24328733 0.76 JAK2 (0.37) JAK2JAK1TYK2JAK3
SCHEMBL29601621 0.75 JAK2 (0.41) JAK2JAK1TYK2JAK3

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