SCHEMBL4235555

SCHEMBL4235555

CCCCCCCCC(C)c1ccnc2[nH]ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCI P41743 3/20 0.41
▸ AXL P30530 1/20 0.41
▸ CIT O14578 7/20 0.40
▸ NUDT1 P36639 3/20 0.40
▸ CCNK O75909 2/20 0.39
▸ CDK12 Q9NYV4 2/20 0.39
▸ JAK2 O60674 2/20 0.38
▸ JAK1 P23458 1/20 0.38
▸ PRKD3 O94806 2/20 0.37
▸ MAP4K4 O95819 2/20 0.37
▸ PRKACA P17612 2/20 0.37
▸ CSNK1A1 P48729 2/20 0.37
▸ CDK9 P50750 2/20 0.37
▸ PRKCQ Q04759 2/20 0.37
▸ ROCK1 Q13464 2/20 0.37
▸ IKBKB O14920 1/20 0.37
▸ CHUK O15111 1/20 0.37
▸ DAPK3 O43293 1/20 0.37
▸ PAK4 O96013 1/20 0.37
▸ CSF1R P07333 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
SCHEMBL23004035 0.82 PRKCI (0.47) PRKCIAXLCITNUDT1CCNK
SCHEMBL1439912 0.78 PRKCI (0.50) PRKCIAXLCITNUDT1CCNK
SCHEMBL23353587 0.78 PRKCI (0.46) PRKCIAXLCITNUDT1CCNK
SCHEMBL84365 0.75 PRKCI (0.53) PRKCIAXLCITNUDT1CCNK
SCHEMBL19565806 0.74 LMNA (0.43) —
SCHEMBL20309049 0.74 LMNA (0.43) —
SCHEMBL19120814 0.74 GPR84 (0.41) —
SCHEMBL28887458 0.72 ADA (0.44) KDR
SCHEMBL23021726 0.72 PRKCI (0.50) PRKCIAXLCITNUDT1JAK2
SCHEMBL24492983 0.72 PRKCI (0.50) PRKCIAXLCITNUDT1CCNK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2109611-A1 7-AZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE Eisai R&D Management Co., Ltd. (JP) 2009-10-21 — — EP disclosed
WO-2008095944-A1 7-AZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO. LTD. (JP) 2008-08-14 — — WO disclosed
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