SCHEMBL22270764

SCHEMBL22270764

Ic1ccc(-c2cnn(C3CC3)c2)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 3/20 0.44
IRAK1 P51617 1/20 0.44
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PI4KA P42356 1/20 0.39
PIK3CG P48736 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
MKNK1 Q9BUB5 1/20 0.38
MPO P05164 1/20 0.38
PIM1 P11309 5/20 0.38
PIM3 Q86V86 2/20 0.38
PIM2 Q9P1W9 2/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
CHRNB2 P17787 2/20 0.37
CHRNA4 P43681 2/20 0.37
MAP3K12 Q12852 1/20 0.37

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
SCHEMBL18519738 0.81 PIK3CD (0.45) IRAK4IRAK1PIK3CDPIK3CAPIK3CB
SCHEMBL22387457 0.78 IRAK4 (0.45) IRAK4IRAK1PIK3CDPIK3CAPIK3CB
SCHEMBL29013278 0.73 ACVR1 (0.37) IRAK4PIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL15576056 0.72 CHRNB2 (0.39) IRAK4IRAK1PIK3CDPIK3CAPIK3CB
SCHEMBL670597 0.72
SCHEMBL24151179 0.71 ASIC3 (0.47) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL24290352 0.71 JAK2 (0.47) IRAK4IRAK1MKNK1PIM1PIM3
SCHEMBL24956331 0.70 IRAK4 (0.56) IRAK4IRAK1PIM1JAK2JAK1
SCHEMBL24958944 0.69 CHRNB2 (0.40) IRAK4IRAK1PIK3CDPIK3CAPIK3CB
SCHEMBL30576672 0.68 PIK3CD (0.47) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG

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
EP-3686196-A1 POLYCYCLIC COMPOUND ACTING AS IDO INHIBITOR AND/OR IDO-HDAC DUAL INHIBITOR Hangzhou Innogate Pharma Co., Ltd. (CN) 2020-07-29 EP disclosed