SCHEMBL9202880

SCHEMBL9202880

CCCn1c(=O)cc(NNC(=S)NC(C)=O)n(Cc2ccc(Cl)cc2)c1=O

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 20/20 0.49

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
SCHEMBL9196053 0.91 ALDH1A1 (0.44) P2RX3
SCHEMBL9196438 0.90 P2RX3 (0.44) P2RX3
SCHEMBL10559207 0.89 P2RX3 (0.49) P2RX3
SCHEMBL9202886 0.85 ALDH1A1 (0.38) P2RX3
SCHEMBL10333434 0.83 KDM4E (0.39) —
SCHEMBL9202874 0.81 P2RX3 (0.48) P2RX3
SCHEMBL9195065 0.81 ALDH1A1 (0.43) P2RX3
SCHEMBL10557407 0.79 MEN1 (0.47) P2RX3
SCHEMBL9196436 0.72 P2RX3 (0.44) P2RX3
SCHEMBL9196048 0.71 P2RX3 (0.43) P2RX3

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-0383465-B1 Tricyclic fused pyrimidine derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-05-03 — — EP disclosed
US-5032594-A Adenosine antagonist TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-07-16 — — US disclosed
EP-0383465-A2 Tricyclic fused pyrimidine derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1990-08-22 — — EP disclosed
Send feedback