SCHEMBL21705072

SCHEMBL21705072

Cc1cnc2[nH]cc(C(=O)CCCl)c2c1Br

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 2/20 0.39
TAB1 Q15750 2/20 0.39
PKM P14618 3/20 0.35
JAK2 O60674 8/20 0.32
JAK3 P52333 8/20 0.32
CTNNB1 P35222 1/20 0.32
WNT3A P56704 1/20 0.32
MAP4K1 Q92918 1/20 0.30
LMNA P02545 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL21678385 0.76 PKM (0.53) MAP3K7TAB1PKMJAK2
SCHEMBL31070084 0.76 PKM (0.53) MAP3K7TAB1PKMJAK2
SCHEMBL2600511 0.71 ROCK2 (0.37) JAK2JAK3
SCHEMBL9923368 0.69 CAMKK2 (0.39) MAP3K7TAB1JAK2JAK3
SCHEMBL25290288 0.67 MAP3K7 (0.51) MAP3K7TAB1PKMJAK2JAK3
SCHEMBL30566019 0.67 MAP3K7 (0.51) MAP3K7TAB1PKMJAK2JAK3
SCHEMBL20758384 0.65 AXL (0.41) MAP3K7TAB1JAK2JAK3MAP4K1
SCHEMBL9923471 0.64 CAMKK2 (0.38) MAP3K7TAB1JAK2JAK3MAP4K1
SCHEMBL23204597 0.64 MAP2K1 (0.38) MAP3K7TAB1PKMJAK2JAK3
SCHEMBL7943876 0.63 MEN1 (0.37) CTNNB1WNT3A

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-2020033955-A1 PYRROLOPYRIMIDINE ITK INHIBITORS ACLARIS THERAPEUTICS, INC. (US) 2020-02-13 WO disclosed