SCHEMBL3034624

SCHEMBL3034624

COc1cc(N2CCC(Cn3ccnc3C)CC2)ccc1-c1nc2c(N)nc(N)nc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 19/20 0.41
PDE7B Q9NP56 2/20 0.41
PIM1 P11309 1/20 0.38
PDE4D Q08499 1/20 0.38

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
SCHEMBL3034636 0.78 HSP90AA1 (0.38) PIM1
SCHEMBL13177798 0.78 HTR4 (0.41) PIM1
SCHEMBL2952943 0.77 MAP2K7 (0.45) PDE7APDE7B
SCHEMBL2946044 0.72 MAPT (0.43) PDE7A
SCHEMBL2946218 0.69 CHEK1 (0.47) PDE7APDE7B
SCHEMBL2947301 0.69 PDE2A (0.48)
SCHEMBL2950517 0.67 ADORA2A (0.40) PDE7APDE7BPDE4D
SCHEMBL2951931 0.67 PRKDC (0.42)
SCHEMBL2954598 0.67 DHFR (0.43)
SCHEMBL2956342 0.66 PDE4B (0.42) PDE7APDE7BPDE4D

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-2010111406-A2 COMPOUNDS AND THERAPEUTIC USES THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-09-30 WO claimed