SCHEMBL19664652

SCHEMBL19664652

Cc1cc(Nc2nccc(C)n2)cc(-c2cncc(CCC(=O)O)n2)c1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 20/20 0.67
▸ JAK2 O60674 1/20 0.42
▸ NTRK1 P04629 1/20 0.42
▸ FYN P06241 1/20 0.42
▸ FGR P09769 1/20 0.42
▸ SRC P12931 1/20 0.42
▸ FER P16591 1/20 0.42
▸ SLC6A2 P23975 1/20 0.42
▸ ZAP70 P43403 1/20 0.42
▸ NTRK3 Q16288 1/20 0.42
▸ CYSLTR2 Q9NS75 1/20 0.42
▸ CYSLTR1 Q9Y271 1/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.42

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
SCHEMBL19664604 0.89 SYK (0.69) SYK
SCHEMBL19664663 0.89 SYK (0.69) SYK
SCHEMBL16778137 0.88 SYK (0.70) SYK
SCHEMBL16778183 0.88 SYK (0.71) SYK
SCHEMBL19664608 0.87 SYK (0.68) SYK
SCHEMBL16737412 0.87 SYK (0.71) SYK
SCHEMBL16778211 0.85 SYK (0.68) SYK
SCHEMBL19664577 0.85 SYK (0.68) SYK
SCHEMBL16737369 0.84 SYK (0.76) SYK
SCHEMBL20377657 0.84 SYK (0.76) SYK

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-2863915-B1 SUBSTITUTED DIAZINE AND TRIAZINE SPLEEN TYROSINE KINASE (Syk) INHIBITORS MERCK SHARP & DOHME (US) 2017-12-06 — — EP claimed
Send feedback