SCHEMBL27713655

SCHEMBL27713655

CCn1c(C(C)C(=O)C(C)c2cnc(C(F)F)n2CC)cnc1C(F)F

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 2/20 0.34
ACHE P22303 5/20 0.33
PIK3CD O00329 3/20 0.32
MLYCD O95822 4/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
HCAR2 Q8TDS4 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GAA P10253 1/20 0.30
THRB P10828 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
SCHEMBL27713654 0.87 SMN1; SMN2 (0.39) HCAR3MLYCDMEN1ALDH1A1POLB
SCHEMBL27746608 0.78 MAPK1 (0.33) HCAR3MEN1ALDH1A1POLBKMT2A
SCHEMBL27693806 0.77 AGBL2 (0.34) ACHEPIK3CDMLYCDMEN1ALDH1A1
SCHEMBL27713651 0.73 POLB (0.38) MEN1ALDH1A1POLBKMT2ASMN1; SMN2
SCHEMBL27767624 0.70 HTT (0.42)
SCHEMBL27746611 0.68 MEN1 (0.37) MEN1ALDH1A1POLBKMT2AGAA
SCHEMBL1447802 0.67 MLYCD (0.33) MLYCD
SCHEMBL5244620 0.67 MLYCD (0.33) MLYCD
SCHEMBL1447958 0.66 CYP1A2 (0.36) MEN1ALDH1A1POLBKMT2ASMN1; SMN2
SCHEMBL27701545 0.61 KCNH2 (0.34) HCAR3ACHE

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-101273031-A Imidazolyl-pyrimidine compounds for use in the treatment of proliferative disorders ASTRAZENECA AB (SE) 2008-09-24 CN disclosed
CN-101115752-A 4- (4- (imidazol-4-yl) pyrimidin-2-ylamino) benzamides as cdk inhibitors ASTRAZENECA AB (SE) 2008-01-30 CN disclosed