SCHEMBL21032280

SCHEMBL21032280

CNCC1CCCCN1c1nc2c(c(Nc3cccc(C)c3)n1)C(=O)NC2

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SYK P43405 7/20 0.56
FER P16591 1/20 0.42
TYK2 P29597 6/20 0.42
EGFR P00533 3/20 0.39
BTK Q06187 3/20 0.39
KHK P50053 1/20 0.39
CDK1 P06493 1/20 0.38
HTT P42858 1/20 0.37

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
SCHEMBL1992464 0.91 SYK (0.53) SYKFERTYK2EGFRBTK
SCHEMBL1991374 0.90 SYK (0.59) SYKFERTYK2EGFRBTK
SCHEMBL16976718 0.89 SYK (0.51) SYKFERTYK2EGFRBTK
SCHEMBL29949561 0.86 SYK (0.49) SYKFERTYK2EGFRBTK
SCHEMBL14930559 0.86 SYK (0.49) SYKFERTYK2EGFRBTK
SCHEMBL12640991 0.84 SYK (0.47) SYKFERTYK2EGFRBTK
SCHEMBL1988427 0.83 SYK (0.51) SYKFERTYK2EGFRBTK
SCHEMBL25401343 0.81 SYK (0.41) SYKTYK2EGFRBTK
SCHEMBL1992466 0.81 SYK (0.53) SYKFERTYK2EGFRBTK
SCHEMBL1988424 0.78 SYK (0.51) SYKFERTYK2EGFRBTK

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-3489236-A1 PROCESS FOR THE PREPARATION OF FUSED HETEROAROMATIC PYRROLIDINONES Takeda Pharmaceutical Company Limited (JP) 2019-05-29 EP disclosed