SCHEMBL8953604

SCHEMBL8953604

CC(C)(C)OC(=O)CCn1c2ccccc2c2c3c(c4c5ccccc5[nH]c4c21)C(=O)NC3

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYLK Q15746 1/20 0.67
PRKD3 O94806 10/20 0.66
PRKCG P05129 10/20 0.66
PRKCB P05771 10/20 0.66
PRKCA P17252 10/20 0.66
PRKCH P24723 10/20 0.66
PRKCI P41743 10/20 0.66
PRKCE Q02156 10/20 0.66
PRKCQ Q04759 10/20 0.66
PRKCZ Q05513 10/20 0.66
PRKCD Q05655 10/20 0.66
PRKD1 Q15139 10/20 0.66
ROCK2 O75116 1/20 0.64
MAP3K9 P80192 2/20 0.54
MAP3K11 Q16584 2/20 0.54
DLK1 P80370 1/20 0.54
MAP3K10 Q02779 1/20 0.54
GLI1 P08151 1/20 0.51
GLI2 P10070 1/20 0.51
CDK4 P11802 1/20 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
SCHEMBL8953628 0.97 MYLK (0.63) MYLKPRKD3PRKCGPRKCBPRKCA
SCHEMBL8953564 0.87 MYLK (0.70) MYLKPRKD3PRKCGPRKCBPRKCA
SCHEMBL9544965 0.86 MYLK (0.69) MYLKPRKD3PRKCGPRKCBPRKCA
SCHEMBL9198199 0.84 MYLK (0.77) MYLKPRKD3PRKCGPRKCBPRKCA
SCHEMBL9203489 0.83 MYLK (0.73) MYLKPRKD3PRKCGPRKCBPRKCA
SCHEMBL9544946 0.83 PRKD3 (0.64) MYLKPRKD3PRKCGPRKCBPRKCA
SCHEMBL9203864 0.83 ROCK2 (0.67) MYLKPRKD3PRKCGPRKCBPRKCA
SCHEMBL9195167 0.82 ROCK2 (0.74) MYLKPRKD3PRKCGPRKCBPRKCA
SCHEMBL9199809 0.81 MYLK (0.78) MYLKPRKD3PRKCGPRKCBPRKCA
SCHEMBL9201942 0.80 PRKD3 (0.72) MYLKPRKD3PRKCGPRKCBPRKCA

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 4 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
US-5489608-A FOR TREATMENT OF HEART AND BLOOD VESSEL DISEASES GOEDECKE AKTIENGESELLSCHAFT (DE) 1996-02-06 US disclosed
WO-1993024490-A1 USE OF INDOLOCARBAZOLS IN AIDS TREATMENT Gödecke Aktiengesellschaft (DE) 1993-12-09 WO disclosed
EP-0434057-A2 Indolocarbazole derivatives, processes for their preparation and their use GÖDECKE AKTIENGESELLSCHAFT (DE) 1991-06-26 EP disclosed