SCHEMBL20873093

SCHEMBL20873093

[c]1ccc(-c2cnn(-c3ccnc4[nH]ccc34)c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCI P41743 3/20 0.62
▸ GRM4 Q14833 1/20 0.51
▸ AURKB Q96GD4 3/20 0.46
▸ AURKA O14965 2/20 0.46
▸ INCENP Q9NQS7 2/20 0.46
▸ TPX2 Q9ULW0 2/20 0.46
▸ AKT2 P31751 1/20 0.43
▸ NUDT1 P36639 7/20 0.38
▸ AXL P30530 1/20 0.38
▸ JAK3 P52333 2/20 0.38
▸ IKBKB O14920 1/20 0.38
▸ CHUK O15111 1/20 0.38
▸ DAPK3 O43293 1/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ PRKD3 O94806 1/20 0.38
▸ MAP4K4 O95819 1/20 0.38
▸ PAK4 O96013 1/20 0.38
▸ CSF1R P07333 1/20 0.38
▸ RET P07949 1/20 0.38
▸ IGF1R P08069 1/20 0.38

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
SCHEMBL29541092 0.87 PRKCI (0.65) PRKCIGRM4AURKBAURKAINCENP
SCHEMBL101483 0.87 PRKCI (0.65) PRKCIGRM4AURKBAURKAINCENP
SCHEMBL5133825 0.85 PRKCI (0.57) PRKCIGRM4AURKBAURKAINCENP
SCHEMBL16673739 0.85 PRKCI (0.62) PRKCIGRM4AURKBAURKAINCENP
SCHEMBL100052 0.85 PRKCI (0.62) PRKCIGRM4AURKBAURKAINCENP
SCHEMBL99830 0.85 PRKCI (0.62) PRKCIGRM4AURKBAURKAINCENP
SCHEMBL100683 0.84 PRKCI (0.58) PRKCIGRM4AURKBAURKAINCENP
SCHEMBL29540824 0.82 PRKCI (0.62) PRKCIGRM4AURKBAURKAINCENP
SCHEMBL102315 0.82 PRKCI (0.62) PRKCIGRM4AURKBAURKAINCENP
SCHEMBL29540955 0.81 PRKCI (0.58) PRKCIGRM4AURKBAURKAINCENP

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3838903-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE AS JANUS KINASE INHIBITOR Incyte Holdings Corporation (US) 2021-06-23 — — EP disclosed
EP-3466953-B1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE AS JANUS KINASE INHIBITOR INCYTE HOLDINGS CORP (US) 2021-02-03 — — EP disclosed
EP-3466953-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE AS JANUS KINASE INHIBITOR Incyte Holdings Corporation (US) 2019-04-10 — — EP disclosed
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