SCHEMBL7670231

SCHEMBL7670231

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 2/20 0.38
IDH1 O75874 1/20 0.37
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.37
ALDH1A1 P00352 1/20 0.36
SHMT2 P34897 1/20 0.36
GSK3B P49841 2/20 0.36
PIM1 P11309 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
CHRM2 P08172 1/20 0.35

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
Hydrochloric Acid SCHEMBL6986088 0.99 CAMK2D (0.37) CAMK2DIDH1CCNT1CDK9ALDH1A1
SCHEMBL7678555 0.85 CCNT1 (0.42) CAMK2DCCNT1CDK9GSK3BPIM1
SCHEMBL6979590 0.85 CCNT1 (0.42) CAMK2DIDH1CCNT1CDK9GSK3B
SCHEMBL7826749 0.85 CAMK2D (0.40) CAMK2DIDH1SHMT2GSK3BPIM1
Hydrochloric Acid SCHEMBL6984455 0.85 CCNT1 (0.42) CAMK2DCCNT1CDK9GSK3BPIM1
SCHEMBL7676681 0.84 CAMK2D (0.47) CAMK2DCCNT1CDK9GSK3BPIM1
SCHEMBL6980550 0.83 PRKACA (0.46) CAMK2DCCNT1CDK9GSK3BPIM1
SCHEMBL7672205 0.83 CAMK2D (0.48) CAMK2DCCNT1CDK9PIM1TSHR
SCHEMBL7678323 0.82 CCNT1 (0.40) CAMK2DIDH1CCNT1CDK9GSK3B
SCHEMBL7670227 0.82 PIM1 (0.43) CAMK2DIDH1CCNT1CDK9GSK3B

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
US-6346625-B1 ENZYME INHIBITORS FOR PROTEIN KINASES ASTRAZENECA AB (SE) 2002-02-12 US claimed
US-6346625-B1 ENZYME INHIBITORS FOR PROTEIN KINASES ASTRAZENECA AB (SE) 2002-02-12 US disclosed