SCHEMBL1742483

SCHEMBL1742483

CC(C)n1nnnc1-c1cccc(Nc2ncc(C#N)c(NC3CC(C)(C)N(C)C(C)(C)C3)n2)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 8/20 0.44
SYK P43405 3/20 0.40
LRRK2 Q5S007 2/20 0.37
PLK1 P53350 1/20 0.37
CDK1 P06493 3/20 0.36
KDR P35968 1/20 0.36
CCNT1 O60563 3/20 0.35
CCNA2 P20248 3/20 0.35
CDK2 P24941 3/20 0.35
CDK9 P50750 3/20 0.35
CCNA1 P78396 1/20 0.35
CCNB1 P14635 2/20 0.35
CDK7 P50613 2/20 0.35
CCNH P51946 2/20 0.35
CSNK2A2 P19784 1/20 0.34
CSNK2A1 P68400 1/20 0.34

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
SCHEMBL1740951 0.88 PRKCQ (0.57) PRKCQSYKKDR
SCHEMBL1742270 0.88 PRKCQ (0.44) PRKCQSYKLRRK2CDK1KDR
SCHEMBL1740384 0.86 PRKCQ (0.45) PRKCQSYKLRRK2CDK1KDR
SCHEMBL1742486 0.85 AAK1 (0.46) PRKCQSYK
SCHEMBL1739732 0.83 PRKCQ (0.44) PRKCQLRRK2PLK1CSNK2A2CSNK2A1
SCHEMBL3494922 0.83 SYK (0.51) PRKCQSYKLRRK2CDK1
SCHEMBL3495606 0.82 PRKCQ (0.61) PRKCQSYKLRRK2CDK1CCNT1
SCHEMBL1740385 0.79 PRKCQ (0.41) PRKCQSYKLRRK2CDK1KDR
SCHEMBL1741147 0.79 PRKCQ (0.46) PRKCQSYKKDR
SCHEMBL1740811 0.79 LRRK2 (0.42) PRKCQSYKLRRK2CDK1KDR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2389373-A1 DERIVATIVES OF N2-(3-PYRIDIL OR PHENYL)-N4-(4-PIPERIDYL)-2,4-PYRIMIDINEDIAMINE USEFUL IN THE TREATMENT OF INFLAMMATORY, AUTOIMMUNE OR PROLIFERATIVE DISEASES Rigel Pharmaceuticals, Inc. (US) 2011-11-30 EP claimed
US-20110253835-A1 AIRCRAFT INTERIOR LAVATORY BE INTELLECTUAL PROPERTY, INC. (US) 2011-10-20 US claimed
WO-2010090875-A1 DERIVATIVES OF N2-(3-PYRIDIL OR PHENYL)-N4-(4-PIPERIDYL)-2,4-PYRIMIDINEDIAMINE USEFUL IN THE TREATMENT OF INFLAMMATORY, AUTOIMMUNE OR PROLIFERATIVE DISEASES RIGEL PHARMACEUTICALS, INC. (US) 2010-08-12 WO claimed
EP-2389373-A1 DERIVATIVES OF N2-(3-PYRIDIL OR PHENYL)-N4-(4-PIPERIDYL)-2,4-PYRIMIDINEDIAMINE USEFUL IN THE TREATMENT OF INFLAMMATORY, AUTOIMMUNE OR PROLIFERATIVE DISEASES Rigel Pharmaceuticals, Inc. (US) 2011-11-30 EP disclosed
US-20110253835-A1 AIRCRAFT INTERIOR LAVATORY BE INTELLECTUAL PROPERTY, INC. (US) 2011-10-20 US disclosed
WO-2010090875-A1 DERIVATIVES OF N2-(3-PYRIDIL OR PHENYL)-N4-(4-PIPERIDYL)-2,4-PYRIMIDINEDIAMINE USEFUL IN THE TREATMENT OF INFLAMMATORY, AUTOIMMUNE OR PROLIFERATIVE DISEASES RIGEL PHARMACEUTICALS, INC. (US) 2010-08-12 WO disclosed