SCHEMBL20301404

SCHEMBL20301404

Cc1cccc2c1C(C)(C)C(C)(C)N=C2c1nnc2c(F)c(F)ccc2n1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
HSD11B1 P28845 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
SCHEMBL20300999 0.91 HSD11B1 (0.31) HSD11B1
SCHEMBL20301185 0.90 PDE2A (0.32) MGAMGAASIMGAM2
SCHEMBL20301395 0.88 GAA (0.34) MGAMGAASIMGAM2
SCHEMBL20300971 0.88 PDE2A (0.30)
SCHEMBL20301341 0.87 HSD11B1 (0.38) HSD11B1
SCHEMBL20300877 0.86
SCHEMBL20300899 0.83 PDE2A (0.31) HSD11B1
SCHEMBL20301399 0.80
SCHEMBL20301369 0.80 PDE2A (0.32)
SCHEMBL20301193 0.80 NPC1 (0.32)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018116072-A1 HETEROCYCLIC COMPOUNDS PI INDUSTRIES LTD. (IN) 2018-06-28 WO claimed
WO-2018116072-A1 HETEROCYCLIC COMPOUNDS PI INDUSTRIES LTD. (IN) 2018-06-28 WO disclosed