SCHEMBL24328733

SCHEMBL24328733

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 10/20 0.37
JAK1 P23458 10/20 0.37
TYK2 P29597 10/20 0.37
JAK3 P52333 10/20 0.37
RET P07949 4/20 0.35
MAPT P10636 3/20 0.33
TP53 P04637 2/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
FGFR3 P22607 1/20 0.33
KDR P35968 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32

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 0.86 JAK2 (0.43) JAK2JAK1TYK2JAK3RET
SCHEMBL29601621 0.86 JAK2 (0.41) JAK2JAK1TYK2JAK3RET
SCHEMBL24328761 0.80 JAK2 (0.38) JAK2JAK1TYK2JAK3RET
SCHEMBL24327971 0.80 JAK2 (0.39) JAK2JAK1TYK2JAK3RET
SCHEMBL29600985 0.79 JAK2 (0.34) JAK2JAK1TYK2JAK3RET
SCHEMBL29732784 0.78 FGFR3 (0.44) JAK2JAK1TYK2JAK3RET
SCHEMBL24327405 0.76 JAK2 (0.42) JAK2JAK1TYK2JAK3
SCHEMBL29601470 0.76 JAK2 (0.40) JAK2JAK1TYK2JAK3RET
SCHEMBL24539477 0.76 JAK2 (0.46) JAK2JAK1TYK2JAK3RET
SCHEMBL29733004 0.76 MAPT (0.42) JAK2JAK1TYK2JAK3RET

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