SCHEMBL6773096

SCHEMBL6773096

CNc1nc(Cl)nc2c1ncn2Cc1ccc(OC)c(OC2CCCC2)c1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 18/20 0.71
PDE4A P27815 1/20 0.52
PDE4B Q07343 1/20 0.52
PDE4C Q08493 1/20 0.52
PDE4D Q08499 1/20 0.52
AXL P30530 1/20 0.51
FLT3 P36888 1/20 0.51
MERTK Q12866 1/20 0.51

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
SCHEMBL6768489 0.89 PDE4A (0.55) YTHDC1PDE4APDE4BPDE4CPDE4D
SCHEMBL27387501 0.83 YTHDC1 (1.00) YTHDC1
SCHEMBL6769672 0.81 AXL (0.49) YTHDC1PDE4APDE4BPDE4CPDE4D
SCHEMBL3582728 0.79 PDE4A (0.51) YTHDC1PDE4APDE4BPDE4CPDE4D
SCHEMBL27388305 0.76 YTHDC1 (1.00) YTHDC1
SCHEMBL6780155 0.75 PDE4A (0.46) YTHDC1PDE4APDE4BPDE4CPDE4D
SCHEMBL27388466 0.74 YTHDC1 (1.00) YTHDC1
SCHEMBL6481387 0.74 PDE4B (0.43) PDE4APDE4BPDE4CPDE4D
SCHEMBL27388309 0.73 YTHDC1 (1.00) YTHDC1
SCHEMBL17262783 0.73 YTHDC1 (0.61) YTHDC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1043324-B1 PURINE DERIVATIVES AND MEDICINE CONTAINING THE SAME AS THE ACTIVE INGREDIENT MITSUBISHI CHEM CORP (JP) 2004-06-16 EP disclosed
US-6734187-B1 ANTIASTHMATIC AGENTS MITSUBISHI CHEMICAL CORPORATION (JP) 2004-05-11 US disclosed
EP-1043324-A1 PURINE DERIVATIVES AND MEDICINE CONTAINING THE SAME AS THE ACTIVE INGREDIENT MITSUBISHI CHEMICAL CORPORATION (JP) 2000-10-11 EP disclosed