SCHEMBL9544943

SCHEMBL9544943

O=C1NCc2c1c1c3ccccc3[nH]c1c1c2c2ccccc2n1CC(O)CO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYLK Q15746 2/20 0.64
ROCK2 O75116 1/20 0.64
PRKD3 O94806 7/20 0.57
PRKCG P05129 7/20 0.57
PRKCB P05771 7/20 0.57
PRKCA P17252 7/20 0.57
PRKCH P24723 7/20 0.57
PRKCI P41743 7/20 0.57
PRKCE Q02156 7/20 0.57
PRKCQ Q04759 7/20 0.57
PRKCZ Q05513 7/20 0.57
PRKCD Q05655 7/20 0.57
PRKD1 Q15139 7/20 0.57
MAP3K9 P80192 2/20 0.56
MAP3K11 Q16584 2/20 0.56
CDK4 P11802 2/20 0.56
CCND1 P24385 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
SCHEMBL9544962 0.96 MYLK (0.59) MYLKROCK2PRKD3PRKCGPRKCB
SCHEMBL9204107 0.88 PRKD3 (0.67) MYLKROCK2PRKD3PRKCGPRKCB
SCHEMBL9204314 0.87 MYLK (0.63) MYLKROCK2PRKD3PRKCGPRKCB
SCHEMBL9544843 0.87 ROCK2 (0.67) MYLKROCK2PRKD3PRKCGPRKCB
SCHEMBL9544809 0.87 PRKD3 (0.68) MYLKROCK2PRKD3PRKCGPRKCB
SCHEMBL8113741 0.85 CDK4 (0.70) MYLKPRKD3PRKCGPRKCBPRKCA
SCHEMBL9204024 0.84 PRKD3 (0.62) MYLKROCK2PRKD3PRKCGPRKCB
SCHEMBL9195167 0.84 ROCK2 (0.74) MYLKROCK2PRKD3PRKCGPRKCB
SCHEMBL9197404 0.84 MYLK (0.62) MYLKROCK2PRKD3PRKCGPRKCB
SCHEMBL8953564 0.83 MYLK (0.70) 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