SCHEMBL9544843

SCHEMBL9544843

O=C1NCc2c1c1c3ccccc3[nH]c1c1c2c2ccccc2n1CC(F)F

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.67
MYLK Q15746 1/20 0.67
PRKD3 O94806 9/20 0.59
PRKCG P05129 9/20 0.59
PRKCB P05771 9/20 0.59
PRKCA P17252 9/20 0.59
PRKCH P24723 9/20 0.59
PRKCI P41743 9/20 0.59
PRKCE Q02156 9/20 0.59
PRKCQ Q04759 9/20 0.59
PRKCZ Q05513 9/20 0.59
PRKCD Q05655 9/20 0.59
PRKD1 Q15139 9/20 0.59
GLI1 P08151 1/20 0.59
GLI2 P10070 1/20 0.59
CDK4 P11802 1/20 0.59
CTRB1 P17538 1/20 0.59
PRKACA P17612 1/20 0.59
PRKACG P22612 1/20 0.59
PRKACB P22694 1/20 0.59

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
SCHEMBL9544992 0.96 MYLK (0.62) ROCK2MYLKPRKD3PRKCGPRKCB
SCHEMBL9544943 0.87 MYLK (0.64) ROCK2MYLKPRKD3PRKCGPRKCB
SCHEMBL9195167 0.86 ROCK2 (0.74) ROCK2MYLKPRKD3PRKCGPRKCB
SCHEMBL9198199 0.84 MYLK (0.77) ROCK2MYLKPRKD3PRKCGPRKCB
SCHEMBL22499377 0.84 ROCK2 (0.69) ROCK2MYLKPRKD3PRKCGPRKCB
SCHEMBL8953564 0.84 MYLK (0.70) ROCK2MYLKPRKD3PRKCGPRKCB
SCHEMBL9204107 0.83 PRKD3 (0.67) ROCK2MYLKPRKD3PRKCGPRKCB
SCHEMBL9544962 0.83 MYLK (0.59) ROCK2MYLKPRKD3PRKCGPRKCB
SCHEMBL9204314 0.82 MYLK (0.63) ROCK2MYLKPRKD3PRKCGPRKCB
SCHEMBL9197980 0.82 MYLK (0.61) ROCK2MYLKPRKD3PRKCGPRKCB

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