SCHEMBL24327375

SCHEMBL24327375

C[C@@H](CO)Nc1nc2c(-c3cnn(C)c3)nc(-c3ccc(Cl)cn3)cn2n1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 6/20 0.40
JAK1 P23458 6/20 0.40
TYK2 P29597 6/20 0.40
JAK3 P52333 6/20 0.40
AHR P35869 1/20 0.36
SYK P43405 1/20 0.36
EIF2AK4 Q9P2K8 1/20 0.36
TTK P33981 1/20 0.35
FGFR3 P22607 1/20 0.34
KDR P35968 1/20 0.34
IDH1 O75874 1/20 0.34
MAPK1 P28482 5/20 0.33
RET P07949 1/20 0.33
PIK3CA P42336 2/20 0.33
MTOR P42345 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
SCHEMBL29601453 0.90 JAK2 (0.44) JAK2JAK1TYK2JAK3AHR
SCHEMBL24327328 0.90 JAK2 (0.44) JAK2JAK1TYK2JAK3AHR
SCHEMBL24327333 0.90 JAK2 (0.44) JAK2JAK1TYK2JAK3AHR
SCHEMBL24328767 0.81 JAK2 (0.43) JAK2JAK1TYK2JAK3TTK
SCHEMBL24327390 0.81 JAK2 (0.43) JAK2JAK1TYK2JAK3SYK
SCHEMBL24327891 0.80 TRPV3 (0.41) JAK2JAK1TYK2JAK3SYK
SCHEMBL24327373 0.80 FGFR3 (0.44) JAK2JAK1TYK2JAK3FGFR3
SCHEMBL24327764 0.79 FGFR3 (0.41) JAK2JAK1TYK2JAK3FGFR3
SCHEMBL29601173 0.79 FGFR3 (0.41) JAK2JAK1TYK2JAK3FGFR3
SCHEMBL29601470 0.79 JAK2 (0.40) 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