SCHEMBL20182205

SCHEMBL20182205

CC(C)N/C=C(\C=N)Cn1cc(-c2ccc(Cl)cc2)c2c(N)ncnc21

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SRC P12931 9/20 0.47
TEK Q02763 8/20 0.47
LCK P06239 7/20 0.47
KDR P35968 7/20 0.47
FLT3 P36888 2/20 0.39
BTK Q06187 3/20 0.38
FYN P06241 1/20 0.38
ABL1 P00519 1/20 0.38
EGFR P00533 1/20 0.38
ABL2 P42684 1/20 0.38

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
SCHEMBL20182279 0.80 FYN (0.39) SRCTEKLCKKDRBTK
SCHEMBL20182223 0.79 RPS6KA3 (0.40) SRCTEKLCKKDRBTK
SCHEMBL3662271 0.74 SRC (0.64) SRCTEKLCKKDRFLT3
SCHEMBL13020061 0.73 SRC (0.57) SRCTEKLCKKDRBTK
SCHEMBL13020062 0.72 SRC (0.60) SRCTEKLCKKDRBTK
SCHEMBL13020097 0.72 SRC (0.57) SRCTEKLCKKDRFLT3
SCHEMBL13020112 0.72 SRC (0.58) SRCTEKLCKKDRFLT3
SCHEMBL13020101 0.72 SRC (0.67) SRCTEKLCKKDRFLT3
SCHEMBL13020349 0.71 SRC (0.69) SRCTEKLCKKDRFLT3
SCHEMBL20162680 0.71 SRC (0.51) SRCTEKLCKKDRFLT3

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-2018094137-A1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CYSTIC FIBROSIS FOUNDATION THERAPEUTICS INC. (US) 2018-05-24 WO disclosed