SCHEMBL3637510

SCHEMBL3637510

CC(=O)N1CCN(c2nc(NCCc3ccc(C(C)C)cc3)c3c(n2)C(=O)N(C(C)C)C3)CC1

nearest known ligand 0.87

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 20/20 0.87
CYP2C9 P11712 8/20 0.74

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
SCHEMBL3636646 0.93 P2RX3 (1.00) P2RX3CYP2C9
SCHEMBL4235279 0.92 P2RX3 (1.00) P2RX3CYP2C9
SCHEMBL4228769 0.92 P2RX3 (0.87) P2RX3CYP2C9
SCHEMBL3639545 0.91 P2RX3 (0.85) P2RX3CYP2C9
SCHEMBL4238916 0.91 P2RX3 (1.00) P2RX3CYP2C9
SCHEMBL3638923 0.90 P2RX3 (0.75) P2RX3CYP2C9
SCHEMBL4235654 0.90 P2RX3 (0.82) P2RX3CYP2C9
SCHEMBL3636551 0.89 P2RX3 (0.81) P2RX3CYP2C9
SCHEMBL3640543 0.89 P2RX3 (0.81) P2RX3CYP2C9
SCHEMBL3638498 0.88 P2RX3 (0.92) P2RX3CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155751-A1 PYRROLOPYRIMIDIN-7-ONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS AstraZeneca AB (SE) 2010-02-24 EP claimed
WO-2008136756-A1 PYRROLOPYRIMIDIN-7-ONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS ASTRAZENECA AB (SE) 2008-11-13 WO claimed
EP-2155751-A1 PYRROLOPYRIMIDIN-7-ONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS AstraZeneca AB (SE) 2010-02-24 EP disclosed
WO-2008136756-A1 PYRROLOPYRIMIDIN-7-ONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS ASTRAZENECA AB (SE) 2008-11-13 WO disclosed