SCHEMBL9544714

SCHEMBL9544714

COc1ccc2[nH]c3c(c4c(c5c6cc(OC)ccc6n(CCCN(C)C)c35)C(=O)NC4)c2c1

nearest known ligand 0.93

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYLK Q15746 6/20 0.93
ROCK2 O75116 2/20 0.55
PRKD3 O94806 2/20 0.52
PRKCG P05129 2/20 0.52
PRKCB P05771 2/20 0.52
PRKCA P17252 2/20 0.52
PRKCH P24723 2/20 0.52
PRKCI P41743 2/20 0.52
PRKCE Q02156 2/20 0.52
PRKCQ Q04759 2/20 0.52
PRKCZ Q05513 2/20 0.52
PRKCD Q05655 2/20 0.52
PRKD1 Q15139 2/20 0.52
CDK4 P11802 1/20 0.51
PRKACA P17612 1/20 0.51
PRKACG P22612 1/20 0.51
PRKACB P22694 1/20 0.51
CCND1 P24385 1/20 0.51
MAP3K9 P80192 4/20 0.51
MAP3K11 Q16584 4/20 0.51

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
SCHEMBL9544881 0.97 MYLK (1.00) MYLKROCK2PRKD3PRKCGPRKCB
SCHEMBL9545512 0.88 MYLK (0.93) MYLKROCK2PRKD3PRKCGPRKCB
SCHEMBL8120779 0.87 MYLK (0.77) MYLKROCK2PRKD3PRKCGPRKCB
SCHEMBL9265479 0.87 MYLK (0.71) MYLKROCK2PRKD3PRKCGPRKCB
SCHEMBL8124650 0.85 MYLK (0.74) MYLKROCK2CDK4PRKACAPRKACG
SCHEMBL9544700 0.84 MYLK (1.00) MYLKROCK2PRKD3PRKCGPRKCB
SCHEMBL8123135 0.84 MYLK (0.73) MYLKROCK2PRKD3PRKCGPRKCB
SCHEMBL9260508 0.83 MYLK (0.76) MYLKROCK2PRKD3PRKCGPRKCB
SCHEMBL9545486 0.82 MYLK (0.82) MYLKROCK2PRKD3PRKCGPRKCB
SCHEMBL9544717 0.82 MYLK (0.82) 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