SCHEMBL3136142

SCHEMBL3136142

CN(c1nc(Nc2ccc(-c3cnco3)cc2)nc2c1CN(CC=O)CC2)[C@@H]1CCCO1.O=CCN1CCc2nc(Nc3ccc(-c4cnco4)cc3)nc(N(CCO)c3ccccc3)c2C1.O=CCN1CCc2nc(Nc3ccc(-c4cnco4)cc3)nc(Nc3cccc(CO)c3)c2C1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 2/20 0.32
EGFR P00533 1/20 0.31
ITK Q08881 1/20 0.31
PRKCQ Q04759 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
SCHEMBL2450616 0.83 BRD4 (0.35) IMPDH2
SCHEMBL2451710 0.83 BRD4 (0.35) IMPDH2
SCHEMBL2449466 0.83 CREBBP (0.38) IMPDH2PRKCQ
SCHEMBL3136145 0.83 LMNA (0.32)
SCHEMBL2446023 0.80 SYK (0.36) IMPDH2EGFRITK
SCHEMBL2446856 0.79 BRD4 (0.36) IMPDH2
SCHEMBL2448247 0.78 BRD4 (0.37) IMPDH2PRKCQ
SCHEMBL2449771 0.76 BRD4 (0.34) IMPDH2
SCHEMBL2451572 0.75 CREBBP (0.39) IMPDH2
SCHEMBL2447398 0.75 BRD4 (0.37) IMPDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010053438-A1 MODULATORS OF AMYLOID BETA. ASTRAZENECA AB (SE) 2010-05-14 WO disclosed