SCHEMBL24328767

SCHEMBL24328767

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

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 9/20 0.43
JAK3 P52333 8/20 0.43
JAK1 P23458 7/20 0.43
TYK2 P29597 7/20 0.43
TRPV3 Q8NET8 5/20 0.42
EPHB4 P54760 1/20 0.41
TEK Q02763 1/20 0.41
PTK2 Q05397 2/20 0.38
TTK P33981 1/20 0.36
F2RL3 Q96RI0 1/20 0.35
MDM2 Q00987 1/20 0.35
NPBWR1 P48145 1/20 0.35
KCNH2 Q12809 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
SCHEMBL24327390 0.89 JAK2 (0.43) JAK2JAK3JAK1TYK2TTK
SCHEMBL24327328 0.89 JAK2 (0.44) JAK2JAK3JAK1TYK2TTK
SCHEMBL29601453 0.89 JAK2 (0.44) JAK2JAK3JAK1TYK2TTK
SCHEMBL24327333 0.89 JAK2 (0.44) JAK2JAK3JAK1TYK2TTK
SCHEMBL24327891 0.88 TRPV3 (0.41) JAK2JAK3JAK1TYK2TRPV3
SCHEMBL24328770 0.86 EPHB4 (0.41) JAK2JAK3JAK1TYK2EPHB4
SCHEMBL24327771 0.85 TEK (0.43) JAK2JAK3JAK1TYK2TRPV3
SCHEMBL24539587 0.83 JAK2 (0.43) JAK2JAK3JAK1TYK2TRPV3
SCHEMBL24539590 0.83 JAK2 (0.42) JAK2JAK3JAK1TYK2TRPV3
SCHEMBL24539461 0.83 JAK2 (0.42) JAK2JAK3JAK1TYK2TRPV3

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