SCHEMBL28322975

SCHEMBL28322975

CN1CCN(c2ccc(Nc3cncc(N4CCC[C@@H](NC(=O)c5ccc(C(C)(C)C)cc5)C4)n3)cc2)CC1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 8/20 0.72
LCK P06239 8/20 0.72
EGFR P00533 3/20 0.58
BTK Q06187 9/20 0.51
BRD4 O60885 2/20 0.49
KDR P35968 1/20 0.45
MAPK14 Q16539 1/20 0.45

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
SCHEMBL16763896 0.84 JAK3 (1.00) JAK3LCKEGFRBTK
SCHEMBL16764241 0.84 JAK3 (1.00) JAK3LCKEGFRBTK
SCHEMBL28323999 0.83 LCK (0.70) JAK3LCKEGFRBTK
SCHEMBL28324045 0.81 BTK (0.64) JAK3LCKEGFRBTK
SCHEMBL28322931 0.81 BTK (0.64) JAK3LCKEGFRBTK
SCHEMBL23081038 0.79 JAK3 (0.90) JAK3LCKEGFRBTK
SCHEMBL28322911 0.77 BTK (0.72) JAK3LCKEGFRBTK
SCHEMBL28322924 0.76 JAK3 (0.57) JAK3LCKEGFRBTK
SCHEMBL28322916 0.76 JAK3 (0.72) JAK3LCKEGFRBTK
SCHEMBL28322957 0.75 BTK (0.70) JAK3LCKEGFRBTK

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-105960404-B The inhibitor of bruton's tyrosine kinase 药品循环有限责任公司 2019-09-03 CN disclosed