SCHEMBL21776268

SCHEMBL21776268

C=CC(=O)N1CCCC(CN)C1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 14/20 0.46
JAK1 P23458 4/20 0.46
JAK2 O60674 4/20 0.46
BTK Q06187 4/20 0.41
EGFR P00533 3/20 0.40
TYK2 P29597 1/20 0.40
FGFR1 P11362 1/20 0.39
FGFR2 P21802 1/20 0.39
FGFR3 P22607 1/20 0.39

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
SCHEMBL4739306 0.85 JAK3 (0.45) JAK3JAK1JAK2BTK
SCHEMBL22474759 0.83 JAK3 (0.44) JAK3JAK1JAK2BTKEGFR
SCHEMBL17150817 0.83 JAK3 (0.44) JAK3JAK1JAK2BTKEGFR
SCHEMBL19240547 0.83 JAK3 (0.45) JAK3JAK1JAK2BTKTYK2
SCHEMBL17915688 0.83 JAK3 (0.45) JAK3JAK1JAK2BTKTYK2
SCHEMBL18431347 0.83 JAK3 (0.45) JAK3JAK1JAK2BTKTYK2
SCHEMBL24541727 0.81 JAK3 (0.45) JAK3JAK1JAK2BTKTYK2
SCHEMBL21537267 0.81 JAK3 (0.45) JAK3JAK1JAK2BTKTYK2
SCHEMBL20937415 0.81 JAK3 (0.45) JAK3JAK1JAK2BTKTYK2
SCHEMBL16285092 0.81 POLB (0.44) JAK3JAK1JAK2BTKEGFR

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-3036231-B1 SUBSTITUTED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF JUBILANT BIOSYS LTD (IN) 2020-02-26 EP disclosed