SCHEMBL8619764

SCHEMBL8619764

Cn1cc(C2=CC(=O)N(c3cn(CCCN)c4ccccc34)C2=O)c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 5/20 0.57
PIM1 P11309 2/20 0.57
RPS6KB1 P23443 1/20 0.45
CCNT1 O60563 2/20 0.45
CDK9 P50750 2/20 0.45
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
PTPRC P08575 1/20 0.43
PRKCA P17252 1/20 0.43
PRKACA P17612 1/20 0.43
PRKACG P22612 1/20 0.43
PRKACB P22694 1/20 0.43

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
SCHEMBL25282614 0.96 CAMK2D (0.57) CAMK2DPIM1RPS6KB1CCNT1CDK9
SCHEMBL8923158 0.85 GSK3B (0.47) CAMK2DPIM1CCNT1CDK9CCNA2
SCHEMBL9536683 0.85 PRKCB (0.62) CAMK2DPIM1RPS6KB1CCNT1CDK9
SCHEMBL8466339 0.75 CCNT1 (0.44) CCNT1CDK9CCNA2CDK2PTPRC
SCHEMBL8619768 0.75 PIM1 (0.43) CAMK2DPIM1RPS6KB1CCNT1CDK9
SCHEMBL6973734 0.73 CAMK2D (0.56) CAMK2DPIM1RPS6KB1CCNT1CDK9
SCHEMBL8477960 0.73 CCNT1 (0.42) CCNT1CDK9CCNA2CDK2PTPRC
SCHEMBL30358319 0.73 GSK3B (0.46) CCNT1CDK9CCNA2CDK2PTPRC
SCHEMBL8920187 0.73 PRKCG (0.59) CAMK2DPIM1RPS6KB1CCNT1CDK9
SCHEMBL29438694 0.73 CAMK2D (1.00) CAMK2DPIM1CDK2PRKCAPRKACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5750555-A NERVOUS SYSTEM DISORDERS; SKIN DISORDERS; IMMUNOLOGY GOEDECKE AKTIENGESELLSCHAFT (DE) 1998-05-12 US disclosed