SCHEMBL30802417

SCHEMBL30802417

Nc1ncccc1-c1nc2ncccc2[nH]1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.69
CDK2 P24941 1/20 0.69
MKNK1 Q9BUB5 1/20 0.69
MKNK2 Q9HBH9 1/20 0.69
PDE5A O76074 16/20 0.65
AURKA O14965 1/20 0.60
NUDT1 P36639 1/20 0.59
METAP1 P53582 2/20 0.57
METAP2 P50579 1/20 0.57
PDE4A P27815 7/20 0.55
PDE4B Q07343 7/20 0.55
PDE4C Q08493 7/20 0.55
PDE4D Q08499 7/20 0.55

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
SCHEMBL2175033 1.00 CDK1 (0.69) CDK1CDK2MKNK1MKNK2PDE5A
SCHEMBL913494 0.85 PDE5A (0.68) CDK1CDK2MKNK1MKNK2PDE5A
SCHEMBL27878086 0.83 PDE5A (0.56) PDE5AAURKANUDT1METAP1METAP2
SCHEMBL992234 0.82 PDE5A (0.52) CDK1CDK2MKNK1MKNK2PDE5A
SCHEMBL222463 0.82 CDK1 (1.00) CDK1CDK2MKNK1MKNK2METAP1
SCHEMBL30874481 0.82 METAP2 (0.55) CDK1CDK2MKNK1MKNK2PDE5A
SCHEMBL30874471 0.82 CDK1 (1.00) CDK1CDK2MKNK1MKNK2METAP1
SCHEMBL1170747 0.82 METAP1 (0.72) PDE5AAURKANUDT1METAP1METAP2
SCHEMBL7430084 0.79 PDE5A (1.00) PDE5AAURKAMETAP1METAP2PDE4A
SCHEMBL9217011 0.79 PDE5A (0.68) PDE5AAURKAMETAP1METAP2PDE4A

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-2024054512-A1 AKT1 MODULATORS ALTEROME THERAPEUTICS, INC. (US) 2024-03-14 WO disclosed