SCHEMBL8505718

SCHEMBL8505718

CCCCNc1nc2c(ncn2[C@H]2C[C@H](OP(=O)(OCCC#N)OCCC#N)[C@@H](CO)O2)c(=O)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.51
▸ POLA1 P09884 1/20 0.50
▸ P2RY1 P47900 1/20 0.40
▸ TAS1R3 Q7RTX0 1/20 0.40
▸ TAS1R1 Q7RTX1 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ F2 P00734 1/20 0.37

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
SCHEMBL3748707 0.81 POLA1 (0.72) KDM4EPOLA1
SCHEMBL25512701 0.81 POLA1 (0.72) KDM4EPOLA1
SCHEMBL3748702 0.81 POLA1 (0.72) KDM4EPOLA1
SCHEMBL11142359 0.79 KDM4E (0.60) KDM4EPOLA1P2RY1TAS1R3TAS1R1
SCHEMBL6897217 0.78 POLA1 (0.70) KDM4EPOLA1
SCHEMBL8535281 0.78 POLA1 (0.70) KDM4EPOLA1
SCHEMBL6897208 0.78 POLA1 (0.70) KDM4EPOLA1
SCHEMBL31685346 0.77 KDM4E (0.59) KDM4EPOLA1P2RY1TAS1R3TAS1R1
SCHEMBL20341115 0.76 KDM4E (0.56) KDM4EPOLA1P2RY1TAS1R3TAS1R1
SCHEMBL20341100 0.76 KDM4E (0.63) KDM4EPOLA1P2RY1TAS1R3TAS1R1

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-0918784-A1 ALKYLATED NUCLEOSIDE-3'-PHOSPHATES, PROCESS FOR PRODUCING THEM AND THEIR USE Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) 1999-06-02 — — EP disclosed
WO-1997043299-A1 ALKYLATED NUCLEOSIDE-3'-PHOSPHATES, PROCESS FOR PRODUCING THEM AND THEIR USE Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) 1997-11-20 — — WO disclosed
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