SCHEMBL19259010

SCHEMBL19259010

Cc1ncc(F)c(NC2CC3CCC2CC3)n1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GABBR2 O75899 13/20 0.53
▸ GABBR1 Q9UBS5 13/20 0.53
▸ KMT2A Q03164 1/20 0.38
▸ KDR P35968 1/20 0.37
▸ AURKB Q96GD4 1/20 0.37
▸ PDGFRB P09619 3/20 0.36
▸ PDGFRA P16234 3/20 0.36

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
SCHEMBL24929789 0.71 GSK3A (0.34) GABBR2GABBR1KDRPDGFRBPDGFRA
SCHEMBL24929792 0.71 GSK3A (0.45) KDR
SCHEMBL22149395 0.70 GSK3A (0.66) KDR
SCHEMBL24928785 0.70 GSK3A (0.66) KDR
SCHEMBL3123805 0.70 GABBR2 (1.00) GABBR2GABBR1
SCHEMBL3123795 0.70 GABBR2 (1.00) GABBR2GABBR1
SCHEMBL3119355 0.70 GABBR2 (1.00) GABBR2GABBR1
SCHEMBL3119366 0.70 GABBR2 (1.00) GABBR2GABBR1
SCHEMBL3119363 0.70 GABBR2 (1.00) GABBR2GABBR1
SCHEMBL20404182 0.69 KMT2A (0.48) GABBR2GABBR1KMT2A

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
WO-2017133657-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATMENT, AMELIORATION OR PREVENTION OF INFLUENZA SAVIRA PHARMACEUTICALS GMBH (AT) 2017-08-10 — — WO disclosed
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