SCHEMBL6996245

SCHEMBL6996245

CCCCNc1nc(SCCC)nc2c1nnn2[C@@H]1C[C@H](C(=O)NCc2cccnc2)[C@@H](O)[C@H]1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 18/20 0.68
▸ FLT3 P36888 1/20 0.40
▸ TYRO3 Q06418 1/20 0.40
▸ MERTK Q12866 1/20 0.40
▸ GAS6 Q14393 1/20 0.40
▸ PGR P06401 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ DRD1 P21728 1/20 0.40
▸ TBXA2R P21731 1/20 0.40
▸ PTGS1 P23219 1/20 0.40
▸ SLC6A2 P23975 1/20 0.40
▸ FPR3 P25089 1/20 0.40
▸ PDE4A P27815 1/20 0.40
▸ GPR183 P32249 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ PDE3A Q14432 1/20 0.40
▸ TMEM97 Q5BJF2 1/20 0.40

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
SCHEMBL6996247 1.00 P2RY12 (0.68) P2RY12FLT3TYRO3MERTKGAS6
SCHEMBL7000973 0.91 P2RY12 (0.72) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL7000969 0.91 P2RY12 (0.72) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL7509577 0.89 P2RY12 (0.68) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL7509582 0.89 P2RY12 (0.68) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL7508816 0.88 P2RY12 (0.72) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL7508817 0.88 P2RY12 (0.72) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL7474886 0.88 P2RY12 (0.68) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL7474884 0.88 P2RY12 (0.68) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL6999851 0.88 P2RY12 (0.66) P2RY12PGRADORA3CHRM1DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1056749-B1 NOVEL TRIAZOLO(4,5-d)PYRIMIDINE COMPOUNDS ASTRAZENECA UK LTD (GB) 2003-02-19 — — EP claimed
EP-1056749-B1 NOVEL TRIAZOLO(4,5-d)PYRIMIDINE COMPOUNDS ASTRAZENECA UK LTD (GB) 2003-02-19 — — EP disclosed
US-6369064-B1 MYOCARDIAL INFARCTION AND UNSTABLE ANGINA; P2T-RECEPTOR ANTAGONISTS; ANTITHROMBOTIC AGENTS; 7-(SUBSTITUTED AMINO) -5-(THIO)-3H-1,2,3-TRIAZOLO(4,5-D)PYRIMIDIN-3-YL) -CYCLOPENTANECARBOXAMIDES ASTRAZENECA AB (SE) 2002-04-09 — — US disclosed
Send feedback