SCHEMBL21855200

SCHEMBL21855200

N#Cc1ncc(N2CCCCC2)nc1Nc1ccc(N2CCN(C(=O)O)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 5/20 0.47
▸ LCK P06239 4/20 0.47
▸ BTK Q06187 3/20 0.45
▸ ALK Q9UM73 1/20 0.43
▸ SYK P43405 10/20 0.42
▸ EGFR P00533 1/20 0.42
▸ STAT6 P42226 1/20 0.40
▸ ABL1 P00519 1/20 0.39
▸ NTRK1 P04629 1/20 0.39
▸ YES1 P07947 1/20 0.39
▸ PIM1 P11309 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ HIPK1 Q86Z02 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
SCHEMBL21946316 0.86 JAK3 (0.60) JAK3LCKBTKSYKEGFR
SCHEMBL24927487 0.86 JAK3 (0.60) JAK3LCKBTKSYKEGFR
SCHEMBL21946882 0.86 JAK3 (0.60) JAK3LCKBTKSYKEGFR
SCHEMBL31039916 0.86 JAK3 (0.60) JAK3LCKBTKSYKEGFR
SCHEMBL21855327 0.86 JAK3 (0.45) JAK3LCKBTKALKSYK
SCHEMBL18296152 0.85 LCK (0.49) JAK3LCKBTKALKEGFR
SCHEMBL21855184 0.84 JAK3 (0.60) JAK3LCKBTKEGFR
SCHEMBL21855180 0.82 JAK3 (0.60) JAK3LCKBTKEGFR
SCHEMBL21946788 0.80 JAK3 (0.50) JAK3LCKBTKEGFR
SCHEMBL21946354 0.79 JAK3 (0.56) JAK3LCKBTKEGFR

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-2020081450-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK VIA UBIQUITIN PROTEOSOME PATHWAY NURIX THERAPEUTICS, INC. (US) 2020-04-23 — — WO disclosed
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