SCHEMBL17530862

SCHEMBL17530862

CNc1ncnc(NC(C)c2cc3cc(C)c(F)cc3nc2N2CCNC(=O)C2)n1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.34
PIK3CD O00329 1/20 0.34
LRRK2 Q5S007 1/20 0.34
IDH1 O75874 10/20 0.33
OPRK1 P41145 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
SCHEMBL17530857 0.92 IDH1 (0.34) SOS1PIK3CDLRRK2IDH1OPRK1
SCHEMBL714121 0.84 SOS1 (0.38) SOS1PIK3CDLRRK2IDH1OPRK1
SCHEMBL714122 0.84 SOS1 (0.38) SOS1PIK3CDLRRK2IDH1OPRK1
SCHEMBL17530792 0.84 IDH1 (0.44) PIK3CDIDH1
SCHEMBL17530773 0.84 SOS1 (0.34) SOS1IDH1OPRK1
SCHEMBL15899927 0.81 PIK3CD (0.41) SOS1PIK3CDLRRK2OPRK1
SCHEMBL15899862 0.81 PIK3CD (0.41) SOS1PIK3CDLRRK2
SCHEMBL15327034 0.80 TNF (0.38) SOS1PIK3CD
SCHEMBL721429 0.78 IDH1 (0.36) SOS1PIK3CDIDH1
SCHEMBL721428 0.78 IDH1 (0.36) SOS1PIK3CDIDH1

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-2403847-B1 TRIAZINE DERIVATIVES AS KINASE INHIBITORS UCB BIOPHARMA SPRL (BE) 2016-03-02 EP claimed