SCHEMBL13770264

SCHEMBL13770264

Cc1nc(N)c2ncn([C@H]3O[C@H](COC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)[C@@H]3OC(=O)c3ccccc3)c2n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 3/20 0.59
▸ P2RX4 Q99571 3/20 0.59
▸ P2RX2 Q9UBL9 3/20 0.59
▸ P2RY11 Q96G91 2/20 0.56
▸ MEN1 O00255 1/20 0.50
▸ USP2 O75604 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ RNASEL Q05823 3/20 0.49
▸ HINT1 P49773 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ ENPP1 P22413 1/20 0.49
▸ GAPDH P04406 1/20 0.47
▸ DNMT1 P26358 1/20 0.47
▸ DNMT3B Q9UBC3 1/20 0.47
▸ P2RX1 P51575 2/20 0.47

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
SCHEMBL19158331 1.00 P2RX3 (0.59) P2RX3P2RX4P2RX2P2RY11MEN1
SCHEMBL18516358 0.93 P2RY11 (0.58) P2RX3P2RX4P2RX2P2RY11RNASEL
SCHEMBL18516359 0.92 P2RY11 (0.52) P2RX3P2RX4P2RX2P2RY11RNASEL
SCHEMBL6758742 0.92 P2RX3 (0.59) P2RX3P2RX4P2RX2P2RY11MEN1
SCHEMBL13224528 0.91 P2RX3 (0.56) P2RX3P2RX4P2RX2P2RY11MEN1
SCHEMBL13224543 0.91 P2RX3 (0.56) P2RX3P2RX4P2RX2P2RY11MEN1
SCHEMBL3448447 0.91 P2RX3 (0.56) P2RX3P2RX4P2RX2P2RY11MEN1
SCHEMBL10060178 0.90 P2RX3 (0.58) P2RX3P2RX4P2RX2P2RY11ALDH1A1
SCHEMBL10060175 0.90 P2RX3 (0.58) P2RX3P2RX4P2RX2P2RY11ALDH1A1
SCHEMBL1389470 0.90 P2RX3 (0.58) P2RX3P2RX4P2RX2P2RY11ALDH1A1

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-2009087066-A2 METHOD FOR PREPARING A MARKED PURINE DERIVATIVE, SAID DERIVATIVE AND USES THEREOF COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2009-07-16 — — WO disclosed
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