SCHEMBL3033663

SCHEMBL3033663

Cc1cc(NCCn2cccc2)ccc1-c1nc2c(N)nc(N)nc2[nH]1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DHFR P00374 5/20 0.34
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
HRH4 Q9H3N8 3/20 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
SCHEMBL3033667 0.73 PI4KA (0.38) DHFR
SCHEMBL4972839 0.71 ALDH1A1 (0.41) GAA
SCHEMBL3040608 0.67 F9 (0.34)
SCHEMBL2951931 0.67 PRKDC (0.42) DHFR
SCHEMBL2955281 0.67 CAMKK2 (0.45)
SCHEMBL2953250 0.67 CARM1 (0.40) DHFRHRH4
SCHEMBL2952310 0.66 NPC1 (0.50) GAAHRH4
SCHEMBL2946541 0.66 CDK1 (0.41) DHFR
SCHEMBL2946549 0.66 CDK1 (0.32) DHFRHRH4
SCHEMBL2953442 0.64 HRH4 (0.42) HRH4

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-2010111406-A2 COMPOUNDS AND THERAPEUTIC USES THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-09-30 WO claimed