SCHEMBL6680432

SCHEMBL6680432

CCOc1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)cc(OCC)c1OCCN1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 5/20 0.56
SMG1 Q96Q15 4/20 0.56
CDK1 P06493 3/20 0.56
CDK2 P24941 3/20 0.56
AIMP2 Q13155 2/20 0.55
ABL1 P00519 4/20 0.51
BCR P11274 3/20 0.51
ABL2 P42684 1/20 0.48
MAPT P10636 2/20 0.47
JAK2 O60674 1/20 0.47
JAK3 P52333 1/20 0.47
PRKCA P17252 1/20 0.46
PRKCD Q05655 1/20 0.46
MTOR P42345 2/20 0.46
CSNK2A1 P68400 1/20 0.45
ACVR1 Q04771 1/20 0.44
KMO O15229 1/20 0.44
NPC1 O15118 1/20 0.44
CCNT1 O60563 1/20 0.44
CDK4 P11802 1/20 0.44

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
SCHEMBL4712159 0.92 SMG1 (0.57) CAMK2DSMG1CDK1CDK2AIMP2
SCHEMBL6109026 0.77 CSNK2A1 (0.69) CAMK2DSMG1CDK1CDK2ABL1
SCHEMBL7811447 0.74 CSNK2A1 (0.72) CAMK2DSMG1CDK1CDK2ABL1
SCHEMBL3608464 0.73 GSK3B (0.53) CAMK2DSMG1CDK1CDK2ABL1
SCHEMBL8254301 0.73 PIK3CG (0.69) CAMK2DCDK2ABL1BCRMAPT
SCHEMBL6107663 0.73 SMG1 (1.00) CAMK2DSMG1CDK1CDK2ABL1
SCHEMBL3251327 0.73 AIMP2 (0.48) CAMK2DSMG1CDK1CDK2AIMP2
SCHEMBL3607489 0.72 CAMK2D (0.55) CAMK2DSMG1CDK1CDK2ABL1
SCHEMBL14423386 0.72 CAMK2D (0.56) CAMK2DSMG1CDK1CDK2AIMP2
SCHEMBL13698056 0.71 KDR (0.59) CAMK2DSMG1CDK1CDK2ABL1

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-1373257-A1 INHIBITORS OF C-JUN N-TERMINAL KINASES (JNK) AND OTHER PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-01-02 EP disclosed
WO-2002079197-A1 INHIBITORS OF C-JUN N-TERMINAL KINASES (JNK) AND OTHER PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-10-10 WO disclosed