SCHEMBL2384723

SCHEMBL2384723

Nc1ncnc2c1ncn2CC=C(CO)COP(=O)(O)OP(=O)(O)OP(=O)(O)O

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 8/20 0.65
▸ ENPP1 P22413 3/20 0.51
▸ ENPP3 O14638 1/20 0.49
▸ P2RX1 P51575 1/20 0.47
▸ P2RX3 P56373 1/20 0.47
▸ P2RX2 Q9UBL9 1/20 0.47
▸ FGFR1 P11362 1/20 0.46
▸ SLC22A6 Q4U2R8 1/20 0.46
▸ P2RY2 P41231 2/20 0.46
▸ P2RY1 P47900 2/20 0.46
▸ P2RY11 Q96G91 1/20 0.46
▸ TRPM2 O94759 1/20 0.45
▸ CYP3A4 P08684 1/20 0.44

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
SCHEMBL31314844 0.77 ENPP1 (0.72) ENPP1ENPP3P2RX1P2RX3P2RX2
SCHEMBL9039195 0.76 AHCY (0.85) AHCY
SCHEMBL9040228 0.76 AHCY (0.85) AHCY
SCHEMBL502621 0.72 ENPP1 (0.52) ENPP1ENPP3P2RX1P2RX3P2RX2
SCHEMBL21257339 0.72 P2RX3 (0.53) ENPP1P2RX1P2RX3P2RX2P2RY2
SCHEMBL8186426 0.72 AHCY (1.00) AHCY
SCHEMBL13648201 0.72 ENPP1 (0.65) AHCYENPP1FGFR1SLC22A6P2RY2
SCHEMBL18840499 0.71 P2RX3 (0.57) P2RX1P2RX3P2RX2P2RY2P2RY1
SCHEMBL25720618 0.71 P2RX1 (0.61) P2RX1P2RX3P2RX2P2RY2P2RY1
SCHEMBL1035726 0.71 ENPP1 (0.51) ENPP1ENPP3P2RX1P2RX3P2RX2

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
US-20110230433-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF CANCER UNIVERSITY OF WASHINGTON (US) 2011-09-22 — — US disclosed
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