SCHEMBL6594423

SCHEMBL6594423

Cn1cncc1-c1ccnc(Nc2cccc(Cl)c2)n1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.62
▸ BCR P11274 1/20 0.62
▸ PRKCA P17252 1/20 0.62
▸ PRKCD Q05655 1/20 0.62
▸ CDK2 P24941 4/20 0.60
▸ CAMK2D Q13557 6/20 0.55
▸ CDK4 P11802 1/20 0.55
▸ EIF2AK2 P19525 2/20 0.51
▸ PIK3CA P42336 2/20 0.50
▸ PIK3CB P42338 2/20 0.50
▸ PIK3CG P48736 2/20 0.50
▸ PLK1 P53350 1/20 0.50
▸ IDO1 P14902 1/20 0.50
▸ IDH1 O75874 1/20 0.50
▸ CDK1 P06493 1/20 0.49
▸ SMG1 Q96Q15 1/20 0.49
▸ MAPT P10636 1/20 0.48
▸ CSNK2A1 P68400 1/20 0.48

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
SCHEMBL6594301 0.85 ABL1 (0.58) ABL1BCRPRKCAPRKCDCDK2
SCHEMBL6105366 0.85 PRKCD (0.57) ABL1BCRPRKCAPRKCDCDK2
SCHEMBL6106058 0.84 ABL1 (0.56) ABL1BCRPRKCAPRKCDCDK2
Hydrochloric Acid SCHEMBL6294928 0.82 ABL1 (0.53) ABL1BCRPRKCAPRKCDCDK2
SCHEMBL6106194 0.81 CDK2 (0.63) ABL1BCRPRKCAPRKCDCDK2
SCHEMBL6595300 0.80 ABL1 (0.53) ABL1BCRPRKCAPRKCDCDK2
SCHEMBL6106065 0.80 ABL1 (0.53) ABL1BCRPRKCAPRKCDCDK2
SCHEMBL6103563 0.78 ABL1 (0.53) ABL1BCRPRKCAPRKCDCDK2
SCHEMBL27533835 0.77 ABL1 (0.52) ABL1BCRPRKCAPRKCDCDK2
SCHEMBL27533831 0.77 ABL1 (0.52) ABL1BCRPRKCAPRKCDCDK2

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
CN-1269813-C Imidazolo-5-yl-2-anilino-pyrimidines as agents for inhibition of cell proliferation ASTRAZENECA AB (SE) 2006-08-16 — — CN disclosed
EP-1351958-B1 IMIDAZOLO-5-YL-2-ANILINO-PYRIMIDINES AS AGENTS FOR THE INHIBITION OF THE CELL PROLIFERATION ASTRAZENECA AB (SE) 2004-06-16 — — EP disclosed
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