SCHEMBL8619768

SCHEMBL8619768

Cn1cc(C2=CC(=O)N(c3c(CCCN)[nH]c4ccccc34)C2=O)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.43
CAMK2D Q13557 2/20 0.43
AHR P35869 1/20 0.40
PTPRC P08575 1/20 0.39
RPS6KB1 P23443 1/20 0.38
CCNT1 O60563 2/20 0.37
CDK9 P50750 2/20 0.37
CCNE2 O96020 2/20 0.37
CDK4 P11802 2/20 0.37
CCND1 P24385 2/20 0.37
CCNE1 P24864 2/20 0.37
CDK2 P24941 2/20 0.37
GSK3B P49841 2/20 0.37
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL8482610 0.89 PRKACA (0.47) PIM1AHRPTPRCCCNT1CDK9
SCHEMBL8482795 0.88 CCNT1 (0.44) PIM1CAMK2DAHRPTPRCCCNT1
SCHEMBL8477363 0.78 MYLK (0.38) CCNT1CDK9GSK3BPRKCA
SCHEMBL8523454 0.76 PTPRC (0.40) PIM1CAMK2DAHRPTPRCCCNT1
SCHEMBL8467099 0.76 HTR2C (0.38) GSK3BALDH1A1LMNAPRKCA
SCHEMBL8619764 0.75 CAMK2D (0.57) PIM1CAMK2DPTPRCRPS6KB1CCNT1
SCHEMBL8920200 0.74 PRKCG (0.43) PIM1CAMK2DPTPRCCCNT1CDK9
Hydrochloric Acid SCHEMBL8919122 0.74 PRKCB (0.43) PIM1CAMK2DPTPRCCCNT1CDK9
SCHEMBL25282614 0.73 CAMK2D (0.57) PIM1CAMK2DRPS6KB1CCNT1CDK9
SCHEMBL22534426 0.72 GSK3B (0.49) PTPRCCCNT1CDK9CCNE2CDK4

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