SCHEMBL4699743

SCHEMBL4699743

CCn1c(CC=O)cnc1C(C)C

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 5/20 0.33
TP53 P04637 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PTGER4 P35408 1/20 0.30

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
SCHEMBL5248105 0.85
SCHEMBL1447305 0.71 HTT (0.38) MLYCDTP53SMN1; SMN2
SCHEMBL6629594 0.67 ACHE (0.30)
SCHEMBL27713654 0.67 SMN1; SMN2 (0.39) MLYCDTP53SMN1; SMN2
SCHEMBL1449077 0.66 HTT (0.37) SMN1; SMN2
SCHEMBL27166571 0.66 ALDH1A1 (0.33) SMN1; SMN2
SCHEMBL9856716 0.65 MLYCD (0.44) MLYCDSMN1; SMN2
SCHEMBL12740542 0.63 SMN1; SMN2 (0.42) MLYCDSMN1; SMN2
SCHEMBL1447253 0.63 MLYCD (0.35) MLYCDTP53SMN1; SMN2
SCHEMBL4697112 0.63 HTT (0.30)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1912974-A1 IMIDAZOLYL-PYRIMIDINE COMPOUNDS FOR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS AstraZeneca AB (SE) 2008-04-23 EP disclosed
EP-1828183-A1 4- (4- (IMIDAZOL-4-YL) PYRIMIDIN-2-YLAMINO) BENZAMIDES AS CDK INHIBITORS AstraZeneca AB (SE) 2007-09-05 EP disclosed
WO-2007015064-A1 IMIDAZOLYL-PYRIMIDINE COMPOUNDS FOR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2007-02-08 WO disclosed
WO-2006064251-A1 4- (4- (IMIDAZOL-4-YL) PYRIMIDIN-2-YLAMINO) BENZAMIDES AS CDK INHIBITORS ASTRAZENECA AB (SE) 2006-06-22 WO disclosed