SCHEMBL10181245

SCHEMBL10181245

C1=C(c2ccn(-c3ccnc4[nH]ccc34)c2)CCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 2/20 0.49
▸ JAK3 P52333 2/20 0.49
▸ JAK1 P23458 1/20 0.49
▸ PBK Q96KB5 2/20 0.42
▸ NUDT1 P36639 5/20 0.41
▸ PRKCI P41743 4/20 0.40
▸ AKT2 P31751 3/20 0.40
▸ AURKB Q96GD4 2/20 0.38
▸ AURKA O14965 1/20 0.38
▸ INCENP Q9NQS7 1/20 0.38
▸ TPX2 Q9ULW0 1/20 0.38
▸ AXL P30530 1/20 0.38
▸ IKBKB O14920 2/20 0.35
▸ CHUK O15111 2/20 0.35
▸ DAPK3 O43293 1/20 0.35
▸ PRKD3 O94806 1/20 0.35
▸ MAP4K4 O95819 1/20 0.35
▸ PAK4 O96013 1/20 0.35
▸ CSF1R P07333 1/20 0.35
▸ RET P07949 1/20 0.35

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
SCHEMBL29540432 0.81 PRKCI (0.56) JAK2JAK3JAK1PBKNUDT1
SCHEMBL100067 0.81 PRKCI (0.56) JAK2JAK3JAK1PBKNUDT1
SCHEMBL1723771 0.74 JAK2 (0.61) JAK2JAK3JAK1NUDT1PRKCI
Trifluoroacetic Acid SCHEMBL4096039 0.73 PRKCI (0.47) JAK2JAK3JAK1PBKNUDT1
SCHEMBL1723802 0.70 JAK2 (0.55) JAK2JAK3JAK1NUDT1PRKCI
SCHEMBL16720285 0.69 NUDT1 (0.51) JAK2JAK3PBKNUDT1PRKCI
SCHEMBL29541478 0.67 PRKCI (0.53) JAK2JAK3JAK1PBKNUDT1
SCHEMBL102287 0.67 PRKCI (0.53) JAK2JAK3JAK1PBKNUDT1
SCHEMBL98619 0.66 PRKCI (0.56) JAK2JAK3PBKNUDT1PRKCI
SCHEMBL29541300 0.66 PRKCI (0.56) JAK2JAK3PBKNUDT1PRKCI

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-2474545-A1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors Incyte Corporation (US) 2012-07-11 — — EP disclosed
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