SCHEMBL25955352

SCHEMBL25955352

CC(C)(C)OC(=O)Nc1ncnc2c1ncn2C1OC(COc2ccc3cc(Br)cnc3c2)[C@H]2OC(C)(C)O[C@@H]12

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.42
▸ METTL3 Q86U44 1/20 0.41
▸ PI4KA P42356 1/20 0.41
▸ PI4K2B Q8TCG2 1/20 0.41
▸ PI4K2A Q9BTU6 1/20 0.41
▸ PI4KB Q9UBF8 1/20 0.41
▸ P2RX1 P51575 1/20 0.41
▸ P2RX3 P56373 1/20 0.41
▸ P2RX4 Q99571 1/20 0.41
▸ P2RY12 Q9H244 9/20 0.38
▸ NT5E P21589 1/20 0.37
▸ ADORA1 P30542 1/20 0.36

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
SCHEMBL18572914 0.87 RXFP1 (0.42) RXFP1METTL3PI4KAPI4K2BPI4K2A
SCHEMBL18572915 0.82 METTL3 (0.36) METTL3ADORA1
SCHEMBL25756735 0.82 RXFP1 (0.49) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL21028240 0.82 RXFP1 (0.49) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL25756775 0.82 RXFP1 (0.49) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL24146794 0.82 RXFP1 (0.49) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL18069462 0.81 PI4KA (0.52) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL20699834 0.81 PI4KA (0.62) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL18571809 0.81 PI4KA (0.62) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL12379237 0.81 PI4KA (0.62) RXFP1PI4KAPI4K2BPI4K2API4KB

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-4219496-A1 NOVEL 6-6 BICYCLIC AROMATIC RING SUBSTITUTED NUCLEOSIDE ANALOGUES FOR USE AS PRMT5 INHIBITORS JANSSEN Pharmaceutica NV (BE) 2023-08-02 — — EP disclosed
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