SCHEMBL21592772

SCHEMBL21592772

Cc1cc(-c2c[nH]c3ncc(-c4cc(C)c(N5CCN(C)CC5)c(C)c4)nc23)ccc1C(=O)N1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 5/20 0.55
JAK2 O60674 8/20 0.52
JAK1 P23458 7/20 0.52
TYK2 P29597 7/20 0.52
JAK3 P52333 7/20 0.52
ALOX5AP P20292 2/20 0.44
FEN1 P39748 2/20 0.44
KIT P10721 1/20 0.43
LRRK2 Q5S007 1/20 0.43
NTRK1 P04629 1/20 0.43
MAP3K11 Q16584 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL21592764 0.93 MAP4K1 (0.52) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL21592841 0.93 MAP4K1 (0.53) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL21592780 0.89 MAP4K1 (0.52) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL22858770 0.86 MAP4K1 (0.75) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL22922383 0.86 MAP4K1 (0.51) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL22922382 0.86 MAP4K1 (0.51) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL21592836 0.86 MAP4K1 (0.60) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL21592955 0.85 MAP4K1 (0.53) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL21593058 0.85 MAP4K1 (0.74) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL24722960 0.84 JAK2 (0.48) MAP4K1JAK2JAK1TYK2JAK3

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-2019238067-A1 PYRROLO [2, 3-B] PYRIDINES OR PYRROLO [2, 3-B] PYRAZINES AS HPK1 INHIBITOR AND THE USE THEREOF BEIGENE, LTD. (KY) 2019-12-19 WO disclosed