SCHEMBL11142359

SCHEMBL11142359

CC(C)C(=O)Nc1nc2c(ncn2[C@H]2C[C@H](OP(=O)(OCCC#N)Oc3ccc(Cl)cc3)[C@@H](CO)O2)c(=O)[nH]1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.60
▸ POLA1 P09884 1/20 0.40
▸ TAS1R3 Q7RTX0 1/20 0.39
▸ TAS1R1 Q7RTX1 1/20 0.39
▸ P2RY1 P47900 1/20 0.36
▸ F2 P00734 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ HPGD P15428 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33

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
SCHEMBL9017737 0.88 KDM4E (0.65) KDM4EPOLA1TAS1R3TAS1R1P2RY1
SCHEMBL20341100 0.82 KDM4E (0.63) KDM4EPOLA1TAS1R3TAS1R1P2RY1
SCHEMBL20341115 0.82 KDM4E (0.56) KDM4EPOLA1TAS1R3TAS1R1P2RY1
SCHEMBL12714678 0.80 KDM4E (0.69) KDM4EPOLA1TAS1R3TAS1R1P2RY1
SCHEMBL8505718 0.79 KDM4E (0.51) KDM4EPOLA1TAS1R3TAS1R1P2RY1
SCHEMBL25504740 0.79 KDM4E (0.66) KDM4EPOLA1TAS1R3TAS1R1P2RY1
SCHEMBL11055621 0.79 P2RY12 (0.40) POLB
SCHEMBL12714686 0.79 KDM4E (0.52) KDM4ETAS1R3TAS1R1P2RY1POLB
SCHEMBL24209269 0.78 KDM4E (0.53) KDM4EPOLA1TAS1R3TAS1R1P2RY1
SCHEMBL23225351 0.77 KDM4E (0.77) KDM4EPOLA1TAS1R3TAS1R1P2RY1

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
US-4419509-A Process for de-cyanoethylating blocked nucleotides ELI LILLY AND COMPANY (US) 1983-12-06 — — US disclosed
EP-0075392-A1 Process for de-cyanoethylating blocked nucleotides ELI LILLY AND COMPANY (US) 1983-03-30 — — EP disclosed
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