SCHEMBL9544892

SCHEMBL9544892

COc1ccc2[nH]c3c(c4c(c5c6cc(OC)ccc6n(CCC#N)c35)CNC4=O)c2c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYLK Q15746 11/20 0.75
ROCK2 O75116 3/20 0.56
PRKD3 O94806 2/20 0.54
PRKCG P05129 2/20 0.54
PRKCB P05771 2/20 0.54
PRKCA P17252 2/20 0.54
PRKCH P24723 2/20 0.54
PRKCI P41743 2/20 0.54
PRKCE Q02156 2/20 0.54
PRKCQ Q04759 2/20 0.54
PRKCZ Q05513 2/20 0.54
PRKCD Q05655 2/20 0.54
PRKD1 Q15139 2/20 0.54
PLK4 O00444 1/20 0.54
AURKA O14965 1/20 0.54
PDPK1 O15530 1/20 0.54
JAK2 O60674 1/20 0.54
PAK4 O96013 1/20 0.54
CHEK2 O96017 1/20 0.54
EGFR P00533 1/20 0.54

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
SCHEMBL9260508 0.87 MYLK (0.76) MYLKROCK2PRKD3PRKCGPRKCB
SCHEMBL9545347 0.87 MYLK (0.73) MYLKROCK2PRKD3PRKCGPRKCB
SCHEMBL9544693 0.86 MYLK (1.00) MYLKROCK2PRKD3PRKCGPRKCB
SCHEMBL9544881 0.85 MYLK (1.00) MYLKROCK2PRKD3PRKCGPRKCB
SCHEMBL9265479 0.84 MYLK (0.71) MYLKROCK2PRKD3PRKCGPRKCB
SCHEMBL9544701 0.83 MYLK (0.73) MYLKROCK2PRKD3PRKCGPRKCB
SCHEMBL3267156 0.83 MYLK (0.66) MYLKROCK2PRKD3PRKCGPRKCB
SCHEMBL9544714 0.82 MYLK (0.93) MYLKROCK2PRKD3PRKCGPRKCB
SCHEMBL4881551 0.81 PRKD3 (0.71) MYLKROCK2PRKD3PRKCGPRKCB
SCHEMBL30078317 0.81 PRKD3 (0.71) MYLKROCK2PRKD3PRKCGPRKCB

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