SCHEMBL24327768

SCHEMBL24327768

C[C@@H](CO)Nc1cn2cc(-c3ccc(Cl)cc3)nc(-c3cnn(C)c3)c2n1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.42
JAK2 O60674 3/20 0.41
JAK1 P23458 3/20 0.41
TYK2 P29597 3/20 0.41
JAK3 P52333 3/20 0.41
CLK1 P49759 3/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
EP300 Q09472 5/20 0.36
MAPK1 P28482 1/20 0.35
TTK P33981 1/20 0.35
KCNH2 Q12809 1/20 0.35
PFKFB3 Q16875 1/20 0.35
FGFR3 P22607 1/20 0.34
KDR P35968 1/20 0.34
NR4A2 P43354 1/20 0.34
GAA P10253 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
SCHEMBL24327770 0.82 AHR (0.40) AHRCLK1CNR1CNR2EP300
SCHEMBL24327333 0.82 JAK2 (0.44) AHRJAK2JAK1TYK2JAK3
SCHEMBL29601453 0.82 JAK2 (0.44) AHRJAK2JAK1TYK2JAK3
SCHEMBL24327400 0.82 AHR (0.41) AHRJAK2JAK1TYK2JAK3
SCHEMBL24327399 0.82 AHR (0.41) AHRJAK2JAK1TYK2JAK3
SCHEMBL24327328 0.82 JAK2 (0.44) AHRJAK2JAK1TYK2JAK3
SCHEMBL29738270 0.78 AHR (0.44) AHRJAK2JAK1TYK2JAK3
SCHEMBL29738275 0.78 AHR (0.44) AHRJAK2JAK1TYK2JAK3
SCHEMBL24327395 0.78 JAK2 (0.44) AHRJAK2JAK1TYK2JAK3
SCHEMBL24539477 0.74 JAK2 (0.46) AHRJAK2JAK1TYK2JAK3

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