SCHEMBL7510476

SCHEMBL7510476

CCCCNc1nc(Sc2ccc(C(F)(F)F)cc2)nc2c1nnn2[C@@H]1CC[C@@H](O)[C@H]1O.O=C(O)NCCO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 16/20 0.48
▸ FLT3 P36888 2/20 0.35
▸ TYRO3 Q06418 2/20 0.35
▸ MERTK Q12866 2/20 0.35
▸ GAS6 Q14393 2/20 0.35
▸ AXL P30530 1/20 0.34
▸ NAE1 Q13564 1/20 0.33
▸ UBA3 Q8TBC4 1/20 0.33
▸ PGR P06401 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ DRD1 P21728 1/20 0.33
▸ TBXA2R P21731 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ FPR3 P25089 1/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ GPR183 P32249 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ SLC6A3 Q01959 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
Bicarbonate SCHEMBL7514070 0.94 P2RY12 (0.52) P2RY12FLT3TYRO3MERTKGAS6
Carbamic Acid SCHEMBL7502884 0.93 P2RY12 (0.53) P2RY12FLT3TYRO3MERTKGAS6
SCHEMBL7506622 0.85 P2RY12 (0.59) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL7506625 0.85 P2RY12 (0.59) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL7515280 0.84 P2RY12 (0.66) P2RY12PGRADORA3CHRM1DRD1
Bicarbonate SCHEMBL7510964 0.84 P2RY12 (0.56) P2RY12NAE1UBA3
SCHEMBL7509109 0.84 P2RY12 (0.61) P2RY12PGRADORA3CHRM1DRD1
Carbamic Acid SCHEMBL7518952 0.84 P2RY12 (0.57) P2RY12NAE1UBA3
SCHEMBL7509278 0.83 P2RY12 (0.53) P2RY12FLT3TYRO3MERTKGAS6
SCHEMBL7509281 0.83 P2RY12 (0.53) P2RY12FLT3TYRO3MERTKGAS6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946561-B1 TRIAZOLO(4,5-D)PYRIMIDINYL DERIVATIVES AND THEIR USE AS MEDICAMENTS ASTRAZENECA AB (SE) 2002-02-13 — — EP claimed
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