SCHEMBL8167180

SCHEMBL8167180

O=C1NC(=S)C(c2c[nH]c3ccccc23)=C1c1c[nH]c2ccccc12

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCB P05771 7/20 0.78
CDK4 P11802 3/20 0.78
CCND1 P24385 3/20 0.78
CDK2 P24941 3/20 0.78
PRKCA P17252 3/20 0.78
CCNE2 O96020 2/20 0.78
PRKACA P17612 2/20 0.78
PRKACG P22612 2/20 0.78
PRKACB P22694 2/20 0.78
CCNE1 P24864 2/20 0.78
CAMK2D Q13557 2/20 0.78
SIRT2 Q8IXJ6 2/20 0.78
ABL1 P00519 2/20 0.78
PRKD3 O94806 1/20 0.78
CCNB2 O95067 1/20 0.78
PRKCG P05129 1/20 0.78
CDK1 P06493 1/20 0.78
PIM1 P11309 1/20 0.78
CCNB1 P14635 1/20 0.78
PRKCH P24723 1/20 0.78

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
Ro-316233 SCHEMBL624896 0.88 PRKCB (1.00) PRKCBCDK4CCND1CDK2PRKCA
Ro-316233 SCHEMBL29373011 0.88 PRKCB (1.00) PRKCBCDK4CCND1CDK2PRKCA
SCHEMBL3148490 0.81 PRKCB (0.84) PRKCBCDK4CCND1CDK2PRKCA
SCHEMBL2881681 0.78 CDK4 (0.54) PRKCBCDK4CCND1CDK2PRKCA
SCHEMBL13917970 0.77 PRKCB (0.78) PRKCBCDK4CCND1CDK2PRKCA
SCHEMBL3908534 0.77 PRKCB (0.78) PRKCBCDK4CCND1CDK2PRKCA
SCHEMBL6098588 0.77 PRKCB (0.78) PRKCBCDK4CCND1CDK2PRKCA
SCHEMBL29756414 0.77 PRKCB (0.78) PRKCBCDK4CCND1CDK2PRKCA
SCHEMBL5333315 0.77 PRKCB (0.78) PRKCBCDK4CCND1CDK2PRKCA
SCHEMBL6823304 0.77 PRKCB (0.78) PRKCBCDK4CCND1CDK2PRKCA

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
US-RE36736-E Substituted pyrroles HOFFMAN-LA ROCHE INC. (US) 2000-06-13 US disclosed
EP-0328026-B1 SUBSTITUTED PYRROLES F. HOFFMANN-LA ROCHE AG (CH) 1993-04-28 EP disclosed
US-5057614-A Antiinflammatory, immunology, bronchodilator agents, cardiovascular disorders HOFFMANN-LA ROCHE INC. (US) 1991-10-15 US disclosed
EP-0328026-A1 Substituted pyrroles F. HOFFMANN-LA ROCHE AG (CH) 1989-08-16 EP disclosed