SCHEMBL20839870

SCHEMBL20839870

O=C(O)Nc1nc2cc(Cl)cc(I)n2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 3/20 0.37
▸ JAK2 O60674 3/20 0.37
▸ TDP2 O95551 2/20 0.34
▸ NPY5R Q15761 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ PIK3CG P48736 2/20 0.32
▸ KDM4E B2RXH2 3/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ HTT P42858 2/20 0.32
▸ USP2 O75604 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ TP53 P04637 1/20 0.31
▸ MAP3K5 Q99683 1/20 0.30
▸ GAA P10253 1/20 0.30

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
SCHEMBL20839881 0.72 TDP2 (0.56) JAK1JAK2TDP2LMNAPIK3CG
SCHEMBL20266798 0.70 MAP3K5 (0.42) JAK1JAK2NPY5RLMNAKDM4E
SCHEMBL20844717 0.69 NUDT1 (0.38) PIK3CGKDM4EALDH1A1NPC1RAB9A
Cyclopropane SCHEMBL16986940 0.66 JAK2 (0.72) JAK1JAK2
SCHEMBL25310876 0.64 JAK1 (0.48) JAK1JAK2MAP3K5
SCHEMBL18340747 0.62 S1PR2 (0.48) LMNAKDM4EALDH1A1MAPTSMN1; SMN2
Cyclopropane SCHEMBL16986950 0.60 JAK1 (0.70) JAK1JAK2MAP3K5
SCHEMBL20472534 0.60 AHR (0.48) JAK2TDP2PIK3CGMAPTPIK3CD
SCHEMBL16965029 0.58 S1PR2 (0.44) KDM4EALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL2473325 0.58 MAPT (0.37) LMNAKDM4EALDH1A1NPC1MAPT

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-2019057946-A1 MULTI-CYCLIC AROMATIC COMPOUNDS AS FACTOR D INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2019-03-28 — — WO disclosed
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