SCHEMBL29601626

SCHEMBL29601626

Cn1cc(-c2nc(-c3ccc(Cl)cc3)cn3nc(NCC(O[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)C(F)(F)F)nc23)cn1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 6/20 0.34
JAK1 P23458 6/20 0.34
TYK2 P29597 6/20 0.34
JAK3 P52333 6/20 0.34
EP300 Q09472 6/20 0.33
RET P07949 1/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
BCDIN3D Q7Z5W3 3/20 0.31

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
SCHEMBL29498913 0.93 JAK2 (0.35) JAK2JAK1TYK2JAK3BCDIN3D
SCHEMBL29498923 0.82 JAK2 (0.36) JAK2JAK1TYK2JAK3EP300
SCHEMBL29498964 0.81 JAK2 (0.35) JAK2JAK1TYK2JAK3EP300
SCHEMBL24327407 0.81 IRAK1 (0.42) JAK2JAK1TYK2JAK3EP300
SCHEMBL29498918 0.81 JAK2 (0.37) JAK2JAK1TYK2JAK3EP300
SCHEMBL29498943 0.79 EP300 (0.31) JAK2JAK1TYK2JAK3EP300
SCHEMBL24327939 0.77 JAK2 (0.35) JAK2JAK1TYK2JAK3RET
SCHEMBL24328702 0.77 JAK2 (0.35) JAK2JAK1TYK2JAK3RET
SCHEMBL29498944 0.76 JAK2 (0.35) JAK2JAK1TYK2JAK3RET
SCHEMBL29498939 0.76 JAK2 (0.35) 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
CN-114369097-A Heteroaromatic AhR inhibitors 山东轩竹医药科技有限公司 2022-04-19 CN disclosed