SCHEMBL7826749

SCHEMBL7826749

Cn1cc(-n2c(-c3cn(CCCNCc4cccnc4)c4ccccc34)c[nH]c2=O)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 2/20 0.40
IDH1 O75874 1/20 0.40
SHMT2 P34897 1/20 0.39
CDK4 P11802 1/20 0.39
PRKACA P17612 1/20 0.39
PRKACG P22612 1/20 0.39
PRKACB P22694 1/20 0.39
CCND1 P24385 1/20 0.39
GSK3B P49841 2/20 0.38
PIM1 P11309 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
CHRM2 P08172 1/20 0.38

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
SCHEMBL7670231 0.85 CAMK2D (0.38) CAMK2DIDH1SHMT2GSK3BPIM1
Hydrochloric Acid SCHEMBL6986088 0.84 CAMK2D (0.37) CAMK2DIDH1SHMT2GSK3BPIM1
SCHEMBL7826748 0.81 PRKCA (0.46) CAMK2DIDH1CDK4PRKACAPRKACG
SCHEMBL7007161 0.73 CAMK2D (0.57) CAMK2DPRKACAPRKACGPRKACBPIM1
SCHEMBL6977921 0.70 PIM1 (0.42) CAMK2DCDK4PRKACAPRKACGPRKACB
SCHEMBL7007072 0.69 PRKCA (0.45) CAMK2DPRKACAPRKACGPRKACBPIM1
SCHEMBL7678555 0.68 CCNT1 (0.42) CAMK2DPRKACAPRKACGPRKACBGSK3B
SCHEMBL6979590 0.68 CCNT1 (0.42) CAMK2DIDH1CDK4PRKACAPRKACG
Hydrochloric Acid SCHEMBL6984455 0.68 CCNT1 (0.42) CAMK2DPRKACAPRKACGPRKACBGSK3B
SCHEMBL21591527 0.68 MEN1 (0.46) SHMT2KDM4ELMNAHTTCHRM2

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
EP-1095039-A2 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS AstraZeneca AB (SE) 2001-05-02 EP claimed
WO-2000002877-A2 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS ASTRAZENECA AB (SE) 2000-01-20 WO claimed