SCHEMBL5982587

SCHEMBL5982587

Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2OCCCNC(=O)C(F)(F)F)c(=O)[nH]1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 11/20 0.57
▸ HINT1 P49773 5/20 0.49
▸ HPGD P15428 2/20 0.49
▸ TAS1R3 Q7RTX0 1/20 0.48
▸ TAS1R1 Q7RTX1 1/20 0.48
▸ NT5E P21589 1/20 0.47

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
SCHEMBL5982600 1.00 KRAS (0.57) KRASHINT1HPGDTAS1R3TAS1R1
SCHEMBL24359099 0.98 KRAS (0.55) KRASHINT1HPGDTAS1R3TAS1R1
SCHEMBL17417839 0.92 KRAS (0.53) KRASHINT1HPGDTAS1R3TAS1R1
SCHEMBL17417840 0.92 KRAS (0.53) KRASHINT1HPGDTAS1R3TAS1R1
SCHEMBL16002733 0.92 KRAS (0.53) KRASHINT1HPGDTAS1R3TAS1R1
SCHEMBL7614827 0.85 HPGD (0.59) KRASHINT1HPGDTAS1R3TAS1R1
SCHEMBL7614834 0.85 HPGD (0.59) KRASHINT1HPGDTAS1R3TAS1R1
SCHEMBL27659 0.85 ADORA2A (0.58) HINT1HPGDTAS1R3TAS1R1NT5E
SCHEMBL27658 0.85 ADORA2A (0.58) HINT1HPGDTAS1R3TAS1R1NT5E
SCHEMBL26198 0.84 ADORA2A (0.58) HINT1HPGDTAS1R3TAS1R1NT5E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7037646-B1 Amine-derivatized nucleosides and oligonucleosides ISIS PHARMACEUTICALS, INC. (US) 2006-05-02 — — US disclosed
EP-0728139-B1 AMINE-DERIVATIZED NUCLEOSIDES AND OLIGONUCLEOSIDES ISIS PHARMACEUTICALS INC (US) 2003-08-13 — — EP disclosed
EP-0728139-A1 AMINE-DERIVATIZED NUCLEOSIDES AND OLIGONUCLEOSIDES ISIS PHARMACEUTICALS, INC. (US) 1996-08-28 — — EP disclosed
WO-1995006659-A1 AMINE-DERIVATIZED NUCLEOSIDES AND OLIGONUCLEOSIDES ISIS PHARMACEUTICALS, INC. (US) 1995-03-09 — — WO disclosed
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