SCHEMBL27787407

SCHEMBL27787407

c1cnc(-c2nc3ncccc3[nH]2)nc1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ METAP1 P53582 2/20 0.66
▸ METAP2 P50579 1/20 0.66
▸ PDE5A O76074 5/20 0.60
▸ AURKA O14965 7/20 0.58
▸ NUDT1 P36639 1/20 0.58
▸ FGFR1 P11362 1/20 0.54
▸ FLT1 P17948 1/20 0.54
▸ HPSE Q9Y251 1/20 0.53
▸ PDE2A O00408 1/20 0.50
▸ PRMT5 O14744 1/20 0.50
▸ PDE4A P27815 1/20 0.50
▸ PDE4B Q07343 1/20 0.50
▸ PDE4C Q08493 1/20 0.50
▸ PDE4D Q08499 1/20 0.50

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
SCHEMBL1170747 0.90 METAP1 (0.72) METAP1METAP2PDE5AAURKANUDT1
SCHEMBL1284270 0.81 AURKA (0.73) METAP1METAP2PDE5AAURKAHPSE
Hydrochloric Acid SCHEMBL11776694 0.79 AURKA (0.71) METAP1METAP2PDE5AAURKAHPSE
SCHEMBL12833538 0.79 KDM4E (0.68) METAP1METAP2PDE5AAURKANUDT1
SCHEMBL11155883 0.79 AURKA (0.67) METAP1METAP2PDE5AAURKANUDT1
SCHEMBL9275644 0.79 METAP1 (1.00) METAP1METAP2PDE5AAURKANUDT1
SCHEMBL30482943 0.79 METAP1 (1.00) METAP1METAP2PDE5AAURKANUDT1
SCHEMBL4048715 0.78 METAP1 (0.58) METAP1METAP2PDE5AAURKANUDT1
SCHEMBL11770396 0.77 AURKA (0.70) METAP1METAP2PDE5AAURKAHPSE
SCHEMBL9269786 0.77 KDM4E (0.64) METAP1METAP2PDE5AAURKAHPSE

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-101802013-A Humanized anti-CD 79B antibodies and immunoconjugates and methods of use GENENTECH INC 2010-08-11 — — CN disclosed
CN-101802012-A anti-CD 79B antibodies and immunoconjugates and methods of use GENENTECH INC 2010-08-11 — — CN disclosed
Send feedback