SCHEMBL7260518

SCHEMBL7260518

c1cc(Nc2nccc(N3CCOCC3)n2)cc(-c2cnco2)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMG1 Q96Q15 8/20 0.52
▸ CDK1 P06493 3/20 0.52
▸ CDK2 P24941 3/20 0.52
▸ SYK P43405 2/20 0.51
▸ MTOR P42345 3/20 0.50
▸ CAMK2D Q13557 1/20 0.50
▸ IMPDH2 P12268 1/20 0.47
▸ ABL1 P00519 1/20 0.47
▸ BCR P11274 1/20 0.47
▸ JAK2 O60674 3/20 0.47
▸ PRKCQ Q04759 1/20 0.47
▸ PIK3CD O00329 1/20 0.46
▸ PIK3CA P42336 1/20 0.46
▸ JAK1 P23458 1/20 0.45
▸ TYK2 P29597 1/20 0.45
▸ JAK3 P52333 1/20 0.45
▸ PLK4 O00444 1/20 0.45
▸ OGA O60502 1/20 0.45

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
SCHEMBL17113389 0.79 SYK (0.52) SYKIMPDH2ABL1BCRPRKCQ
SCHEMBL4476385 0.79 SYK (0.52) SYKCAMK2DABL1BCRPRKCQ
SCHEMBL28118781 0.78 SMG1 (0.70) SMG1CDK1CDK2JAK2PLK4
SCHEMBL18627934 0.75 SYK (0.56) SMG1CDK1CDK2SYKMTOR
SCHEMBL17113289 0.75 SYK (0.67) SMG1CDK1CDK2SYKMTOR
SCHEMBL18627925 0.75 SYK (0.46) SMG1CDK1CDK2SYKMTOR
SCHEMBL28794175 0.73 MAP4K4 (0.55) IMPDH2JAK3
SCHEMBL28085067 0.73 PLK4 (0.68) CDK2JAK2PLK4
SCHEMBL15022350 0.73 ALK (0.73) —
SCHEMBL18627912 0.73 SMG1 (0.44) SMG1CDK1CDK2SYKMTOR

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
WO-2003040141-A1 OXAZOLYL-PHENYL-2,4-DIAMINO-PYRIMIDINE COMPOUNDS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2003-05-15 — — WO claimed
WO-2003040141-A1 OXAZOLYL-PHENYL-2,4-DIAMINO-PYRIMIDINE COMPOUNDS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2003-05-15 — — WO disclosed
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