SCHEMBL28065543

SCHEMBL28065543

CCC/C=C(\C)CC(C)Cl

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.32
GRIK2 Q13002 1/20 0.32
KMT2A Q03164 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
SCHEMBL27856185 0.79 TSHR (0.35) GRIK1GRIK2KMT2A
SCHEMBL1660557 0.76 GRIK1 (0.32) GRIK1GRIK2
SCHEMBL1660555 0.76 GRIK1 (0.32) GRIK1GRIK2
SCHEMBL1782070 0.74 GRIK1 (0.38) GRIK1GRIK2
SCHEMBL22755767 0.74 GRIK1 (0.38) GRIK1GRIK2
SCHEMBL28065532 0.74 BACE1 (0.32) GRIK1GRIK2
SCHEMBL11336461 0.74 GRIK1 (0.38) GRIK1GRIK2
SCHEMBL11336472 0.74 GRIK1 (0.38) GRIK1GRIK2
SCHEMBL1782068 0.74 GRIK1 (0.38) GRIK1GRIK2
SCHEMBL31019920 0.72 GRIK1 (0.44) GRIK1GRIK2

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
CN-103987700-B 4-quinazoline amine derivant and application thereof 江苏豪森药业集团有限公司 2016-08-31 CN disclosed