SCHEMBL19259012

SCHEMBL19259012

CCC(=O)c1cnc2cnn(-c3ncc(F)c(N)n3)c2c1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
GRIN2B Q13224 2/20 0.31
MAPT P10636 1/20 0.30
FGFR3 P22607 1/20 0.30
KDR P35968 1/20 0.30

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
SCHEMBL19250590 0.78 GRIN1 (0.34) GRIN2B
SCHEMBL19258476 0.78 GRIN1 (0.33) GRIN2B
SCHEMBL19258560 0.74 GRIN1 (0.34) GRIN2B
SCHEMBL19258556 0.73 MAP3K14 (0.30)
SCHEMBL19258499 0.69 PDE10A (0.34)
SCHEMBL15290567 0.62 ALDH1A1 (0.49) MEN1TSHRKMT2AMAPT
SCHEMBL3545678 0.62 MAPT (0.42) MEN1TSHRKMT2AMAPT
SCHEMBL9193384 0.61 CYP2D6 (0.45)
SCHEMBL9195181 0.61 HTT (0.46) MEN1KMT2AMAPT
SCHEMBL19258987 0.60 GRIN1 (0.35) GRIN2B

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