SCHEMBL7003219

SCHEMBL7003219

CCCCNc1nc(SCCC)nc2c1nnn2[C@@H]1CC[C@@H](O)[C@H]1O.O=C(O)NCc1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 17/20 0.57
▸ FLT3 P36888 1/20 0.42
▸ TYRO3 Q06418 1/20 0.42
▸ MERTK Q12866 1/20 0.42
▸ GAS6 Q14393 1/20 0.42
▸ USP28 Q96RU2 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
SCHEMBL6988807 0.92 P2RY12 (0.60) P2RY12TYRO3MERTKGAS6USP28
SCHEMBL7002904 0.89 P2RY12 (0.55) P2RY12USP28
SCHEMBL7513822 0.89 P2RY12 (0.57) P2RY12USP28
SCHEMBL7515448 0.89 P2RY12 (0.60) P2RY12USP28
SCHEMBL7510403 0.88 P2RY12 (0.58) P2RY12
SCHEMBL7514827 0.87 P2RY12 (0.57) P2RY12USP28
SCHEMBL7510570 0.86 P2RY12 (0.58) P2RY12
SCHEMBL6997872 0.86 P2RY12 (0.68) P2RY12
SCHEMBL6996245 0.85 P2RY12 (0.68) P2RY12FLT3TYRO3MERTKGAS6
SCHEMBL6996247 0.85 P2RY12 (0.68) 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-1056749-B1 NOVEL TRIAZOLO(4,5-d)PYRIMIDINE COMPOUNDS ASTRAZENECA UK LTD (GB) 2003-02-19 — — EP claimed
Send feedback