SCHEMBL9544965

SCHEMBL9544965

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYLK Q15746 1/20 0.69
PRKD3 O94806 10/20 0.69
PRKCG P05129 10/20 0.69
PRKCB P05771 10/20 0.69
PRKCA P17252 10/20 0.69
PRKCH P24723 10/20 0.69
PRKCI P41743 10/20 0.69
PRKCE Q02156 10/20 0.69
PRKCQ Q04759 10/20 0.69
PRKCZ Q05513 10/20 0.69
PRKCD Q05655 10/20 0.69
PRKD1 Q15139 10/20 0.69
ROCK2 O75116 1/20 0.67
CDK4 P11802 2/20 0.56
CCND1 P24385 2/20 0.56
MAP3K9 P80192 2/20 0.56
MAP3K11 Q16584 2/20 0.56
GLI1 P08151 1/20 0.56
GLI2 P10070 1/20 0.56
CTRB1 P17538 1/20 0.56

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
SCHEMBL9544946 0.96 PRKD3 (0.64) MYLKPRKD3PRKCGPRKCBPRKCA
SCHEMBL8953564 0.91 MYLK (0.70) MYLKPRKD3PRKCGPRKCBPRKCA
SCHEMBL8953604 0.86 MYLK (0.67) MYLKPRKD3PRKCGPRKCBPRKCA
SCHEMBL9198199 0.86 MYLK (0.77) MYLKPRKD3PRKCGPRKCBPRKCA
SCHEMBL8120443 0.85 CDK4 (0.74) MYLKPRKD3PRKCGPRKCBPRKCA
SCHEMBL9195167 0.84 ROCK2 (0.74) MYLKPRKD3PRKCGPRKCBPRKCA
SCHEMBL8953628 0.84 MYLK (0.63) MYLKPRKD3PRKCGPRKCBPRKCA
SCHEMBL4881551 0.83 PRKD3 (0.71) MYLKPRKD3PRKCGPRKCBPRKCA
SCHEMBL9199059 0.83 PRKD3 (0.75) MYLKPRKD3PRKCGPRKCBPRKCA
SCHEMBL30078317 0.83 PRKD3 (0.71) 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 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