SCHEMBL23566752

SCHEMBL23566752

CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cnc3c(N(C(=O)c4ccccc4)C(=O)c4ccccc4)nc(I)nc32)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.47
▸ P2RX3 P56373 3/20 0.44
▸ P2RX4 Q99571 3/20 0.44
▸ P2RX2 Q9UBL9 3/20 0.44
▸ P2RY11 Q96G91 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ ENPP1 P22413 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ACHE P22303 2/20 0.36
▸ P2RX1 P51575 2/20 0.36
▸ P2RX7 Q99572 2/20 0.36
▸ P2RX6 O15547 1/20 0.36
▸ P2RX5 Q93086 1/20 0.36
▸ NT5E P21589 1/20 0.35

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
SCHEMBL18512571 0.94 LMNA (0.46) LMNAP2RX3P2RX4P2RX2P2RY11
SCHEMBL17202905 0.88 LMNA (0.49) LMNAP2RX3P2RX4P2RX2P2RY11
SCHEMBL17203004 0.84 LMNA (0.43) LMNAP2RX3P2RX4P2RX2P2RY11
SCHEMBL18493316 0.84 LMNA (0.43) LMNAP2RX3P2RX4P2RX2P2RY11
SCHEMBL23566761 0.84 LMNA (0.43) LMNAP2RX3P2RX4P2RX2P2RY11
SCHEMBL18512580 0.82 LMNA (0.48) LMNAP2RX3P2RX4P2RX2P2RY11
SCHEMBL17213521 0.82 LMNA (0.44) LMNAP2RX3P2RX4P2RX2P2RY11
SCHEMBL13769463 0.82 LMNA (0.59) LMNAP2RX3P2RX4P2RX2P2RY11
SCHEMBL13864334 0.80 LMNA (0.56) LMNAP2RX3P2RX4P2RX2P2RY11
SCHEMBL13046077 0.80 LMNA (0.60) LMNAP2RX3P2RX4P2RX2P2RY11

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
EP-3134411-B1 PURINE DERIVATIVES AS CD73 INHIBITORS FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INT (DE) 2021-06-30 — — EP disclosed
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