SCHEMBL756245

SCHEMBL756245

Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(O)OP(=O)(O)O)[C@@H](O)[C@@H]1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY2 P41231 4/20 0.64
P2RY1 P47900 4/20 0.64
SRC P12931 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
DNPH1 O43598 1/20 0.64
PRKAB2 O43741 1/20 0.64
TRPM2 O94759 1/20 0.64
LDHA P00338 1/20 0.64
ADRB2 P07550 1/20 0.64
FBP1 P09467 1/20 0.64
ADORA1 P30542 1/20 0.64
PRKAG1 P54619 1/20 0.64
PRKAA2 P54646 1/20 0.64
PDE4D Q08499 1/20 0.64
KCNH2 Q12809 1/20 0.64
PRKAA1 Q13131 1/20 0.64
PDE3A Q14432 1/20 0.64
TAS1R3 Q7RTX0 1/20 0.64
TAS1R1 Q7RTX1 1/20 0.64
P2RY11 Q96G91 1/20 0.64

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
Water SCHEMBL443839 0.99 P2RY2 (0.63) P2RY2P2RY1SRCSMN1; SMN2DNPH1
SCHEMBL3164897 0.91 P2RY2 (0.65) P2RY2P2RY1SRCSMN1; SMN2DNPH1
SCHEMBL8862998 0.91 NT5E (0.59) P2RY2P2RY1SRCSMN1; SMN2DNPH1
SCHEMBL9853314 0.91 NT5E (0.59) P2RY2P2RY1SRCSMN1; SMN2DNPH1
SCHEMBL8970175 0.91 NT5E (0.59) P2RY2P2RY1SRCSMN1; SMN2DNPH1
SCHEMBL6699115 0.90 P2RY1 (0.57) P2RY2P2RY1SRCSMN1; SMN2DNPH1
SCHEMBL7231385 0.90 P2RY2 (0.64) P2RY2P2RY1SRCSMN1; SMN2DNPH1
SCHEMBL5320373 0.89 P2RY2 (0.63) P2RY2P2RY1SRCSMN1; SMN2DNPH1
SCHEMBL2791974 0.89 P2RY2 (0.63) P2RY2P2RY1SRCSMN1; SMN2DNPH1
SCHEMBL10824469 0.89 P2RY1 (0.63) P2RY2P2RY1SRCSMN1; SMN2DNPH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5506352-A Process for the synthesis of 9-(β-D-arabinofuranosyl)adenine, 5'-phosphate WARNER-LAMBERT COMPANY (US) 1996-04-09 US claimed
EP-1320540-B9 PEPTIDOMIMETIC PROTEASE INHIBITORS VERTEX PHARMA (US) 2012-03-21 EP disclosed
EP-1320540-B1 PEPTIDOMIMETIC PROTEASE INHIBITORS VERTEX PHARMA (US) 2009-05-13 EP disclosed
EP-1061922-A1 USE OF $i(N)-SUBSTITUTED-1,5-DIDEOXY-1,5-IMINO-D-GLUCITOL COMPOUNDS FOR TREATING HEPATITIS VIRUS INFECTIONS G.D. SEARLE & CO. (US) 2000-12-27 EP disclosed
EP-0657465-B1 Liponucleotide compounds BORYUNG PHARM (KR) 1999-09-01 EP disclosed
WO-1999040916-A1 USE OF N-SUBSTITUTED-1,5-DIDEOXY-1,5-IMINO-D-GLUCITOL COMPOUNDS FOR TREATING HEPATITIS VIRUS INFECTIONS G.D. SEARLE & CO. (US) 1999-08-19 WO disclosed
EP-0487719-B1 PROCESS FOR THE PREPARATION OF 9-BETA-D-ARABINOFURANOSYL-2-FLUOROADENINE 5'-PHOSPHATE ASH STEVENS INC (US) 1998-08-12 EP disclosed
EP-0657465-A2 Liponucleotide compounds Boryung Pharmaceutical Co., Ltd. (KR) 1995-06-14 EP disclosed
US-4357324-A Prodrug derivatives of 9β-D-arabinofuranosyl-2-fluoroadenine THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1982-11-02 US disclosed
US-4093714-A VIRICIDES ICN PHARMACEUTICALS, INC. (US) 1978-06-06 US disclosed