SCHEMBL9544693

SCHEMBL9544693

COc1ccc2c(c1)c1c3c(c4c5cc(OC)ccc5n(CCC#N)c4c1n2C)CNC3=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYLK Q15746 13/20 1.00
PLK4 O00444 1/20 0.73
AURKA O14965 1/20 0.73
PDPK1 O15530 1/20 0.73
JAK2 O60674 1/20 0.73
ROCK2 O75116 1/20 0.73
PRKD3 O94806 1/20 0.73
PAK4 O96013 1/20 0.73
CHEK2 O96017 1/20 0.73
EGFR P00533 1/20 0.73
ERBB2 P04626 1/20 0.73
PRKCG P05129 1/20 0.73
PRKCB P05771 1/20 0.73
INSR P06213 1/20 0.73
LCK P06239 1/20 0.73
CDK1 P06493 1/20 0.73
CSF1R P07333 1/20 0.73
LYN P07948 1/20 0.73
PIM1 P11309 1/20 0.73
FGFR1 P11362 1/20 0.73

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
SCHEMBL9268216 0.87 MYLK (0.76) MYLKPLK4AURKAPDPK1JAK2
SCHEMBL9544938 0.87 MYLK (1.00) MYLKPLK4AURKAPDPK1JAK2
SCHEMBL8112540 0.86 MYLK (1.00) MYLKPLK4AURKAPDPK1JAK2
SCHEMBL9544892 0.86 MYLK (0.75) MYLKPLK4AURKAPDPK1JAK2
Go-6976 SCHEMBL2175239 0.84 MYLK (1.00) MYLKPLK4AURKAPDPK1JAK2
Go-6976 SCHEMBL29356928 0.84 MYLK (1.00) MYLKPLK4AURKAPDPK1JAK2
SCHEMBL8953712 0.84 MYLK (1.00) MYLKPLK4AURKAPDPK1JAK2
Go-6976 SCHEMBL29357848 0.84 MYLK (1.00) MYLKPLK4AURKAPDPK1JAK2
SCHEMBL8112576 0.82 MYLK (1.00) MYLKPLK4AURKAPDPK1JAK2
SCHEMBL5906357 0.82 MYLK (1.00) MYLKPLK4AURKAPDPK1JAK2

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
WO-1993024490-A1 USE OF INDOLOCARBAZOLS IN AIDS TREATMENT Gödecke Aktiengesellschaft (DE) 1993-12-09 WO claimed
WO-1993024490-A1 USE OF INDOLOCARBAZOLS IN AIDS TREATMENT Gödecke Aktiengesellschaft (DE) 1993-12-09 WO disclosed