SCHEMBL20008397

SCHEMBL20008397

Cc1ncc(-c2ccnc(C(C)(F)F)c2)cc1C(=N)/C=C(\C1NC=CN1C)N1CCC1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 9/20 0.40
GRIN2B Q13224 2/20 0.33
GRIN1 Q05586 1/20 0.31
RAF1 P04049 2/20 0.31
BRAF P15056 2/20 0.31

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
SCHEMBL20008251 0.68 PIK3C3 (0.40) PIK3C3GRIN2BRAF1BRAF
SCHEMBL20008622 0.60 PIK3C3 (0.36) PIK3C3RAF1BRAF
SCHEMBL16926881 0.57 PIK3C3 (1.00) PIK3C3
SCHEMBL23912789 0.57 PIK3C3 (0.70) PIK3C3GRIN2B
SCHEMBL20008355 0.54 IDO1 (0.32)
SCHEMBL16913939 0.53 PIK3C3 (1.00) PIK3C3
SCHEMBL16913814 0.53 PIK3C3 (1.00) PIK3C3
SCHEMBL16926401 0.52 PIK3C3 (1.00) PIK3C3
SCHEMBL20008403 0.52 PIK3C3 (0.30) PIK3C3
SCHEMBL21201442 0.51 PIK3C3 (0.38) PIK3C3GRIN2BGRIN1RAF1BRAF

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-3299367-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS Novartis AG (CH) 2018-03-28 EP disclosed