SCHEMBL24539461

SCHEMBL24539461

CC(CO)Oc1nc2c(-c3cnn(C)c3)nc(-c3ccc(C(F)(F)F)cc3)cn2n1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 10/20 0.42
JAK1 P23458 10/20 0.42
TYK2 P29597 10/20 0.42
JAK3 P52333 9/20 0.42
EPHB4 P54760 1/20 0.40
TEK Q02763 1/20 0.40
F2RL3 Q96RI0 1/20 0.37
TRPV3 Q8NET8 2/20 0.36
NPBWR1 P48145 1/20 0.35
NTRK1 P04629 4/20 0.34
CSF1R P07333 4/20 0.34
NTRK2 Q16620 4/20 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
SCHEMBL24539590 1.00 JAK2 (0.42) JAK2JAK1TYK2JAK3EPHB4
SCHEMBL24539588 0.88 JAK2 (0.44) JAK2JAK1TYK2JAK3KCNH2
SCHEMBL24328767 0.83 JAK2 (0.43) JAK2JAK1TYK2JAK3EPHB4
SCHEMBL24539587 0.83 JAK2 (0.43) JAK2JAK1TYK2JAK3EPHB4
SCHEMBL24327405 0.81 JAK2 (0.42) JAK2JAK1TYK2JAK3EPHB4
SCHEMBL24328770 0.78 EPHB4 (0.41) JAK2JAK1TYK2JAK3EPHB4
SCHEMBL29732889 0.78 JAK2 (0.38) JAK2JAK1TYK2JAK3F2RL3
SCHEMBL24327771 0.77 TEK (0.43) JAK2JAK1TYK2JAK3EPHB4
SCHEMBL24327878 0.73 EPHB4 (0.42) JAK2JAK1TYK2JAK3EPHB4
SCHEMBL29498944 0.71 JAK2 (0.35) JAK2JAK1TYK2JAK3EPHB4

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-2022127753-A1 FUSED RING AHR INHIBITOR 山东轩竹医药科技有限公司 2022-06-23 WO disclosed