SCHEMBL20214610

SCHEMBL20214610

CC(C)CNc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(=O)(OCCC#N)OC[C@H]2O[C@@H](n3cc(F)c4c(Nc5ccccc5)ncnc43)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[PH](=O)O)c(=O)[nH]1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DNPH1 O43598 2/20 0.35
▸ TAS1R3 Q7RTX0 2/20 0.33
▸ TAS1R1 Q7RTX1 2/20 0.33
▸ P2RX3 P56373 1/20 0.33
▸ P2RX4 Q99571 1/20 0.33
▸ P2RX2 Q9UBL9 1/20 0.33
▸ P2RY12 Q9H244 2/20 0.31
▸ ADK P55263 5/20 0.31
▸ LMNA P02545 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ PMP22 Q01453 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ NPY1R P25929 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ NPY2R P49146 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SLC29A1 Q99808 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31

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
SCHEMBL20214768 0.89 TAS1R3 (0.35) DNPH1TAS1R3TAS1R1P2RX3P2RX4
SCHEMBL21073932 0.89 KDM4E (0.38) DNPH1TAS1R3TAS1R1P2RX3P2RX4
SCHEMBL20214747 0.86 TAS1R3 (0.33) DNPH1TAS1R3TAS1R1IMPDH2
SCHEMBL20213829 0.81 P2RY12 (0.36) DNPH1P2RX3P2RX4P2RX2P2RY12
SCHEMBL23228155 0.81 P2RY12 (0.36) DNPH1P2RX3P2RX4P2RX2P2RY12
SCHEMBL19762769 0.80 KDM4E (0.38) DNPH1TAS1R3TAS1R1P2RY12KDM4E
SCHEMBL25680037 0.80 KDM4E (0.39) DNPH1TAS1R3TAS1R1P2RX3P2RX4
SCHEMBL20214601 0.79 DNPH1 (0.44) DNPH1P2RX3P2RX4P2RX2P2RY12
SCHEMBL21073930 0.79 KDM4E (0.38) TAS1R3TAS1R1P2RY12KDM4EIMPDH2
SCHEMBL22500175 0.79 DNPH1 (0.40) DNPH1TAS1R3TAS1R1P2RX3P2RX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3512861-A2 CYCLIC DINUCLEOTIDES AS STING (STIMULATOR OF INTEFERON GENES) AGONISTS Takeda Pharmaceutical Company Limited (JP) 2019-07-24 — — EP disclosed
WO-2018100558-A2 CYCLIC DINUCLEOTIDE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-06-07 — — WO disclosed
Send feedback