SCHEMBL21592691

SCHEMBL21592691

CN1CCN(CCc2ccc(-c3cnc4[nH]cc(-c5ccc(C(=O)N6CCOCC6)cc5)c4n3)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 4/20 0.52
MAPK1 P28482 2/20 0.49
HRH3 Q9Y5N1 7/20 0.45
MAP3K11 Q16584 2/20 0.44
JAK2 O60674 3/20 0.44
JAK1 P23458 2/20 0.44
TYK2 P29597 2/20 0.44
JAK3 P52333 2/20 0.44
HPGD P15428 2/20 0.43

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
SCHEMBL21592694 0.89 MAP4K1 (0.49) MAP4K1MAPK1MAP3K11JAK2JAK1
SCHEMBL21592436 0.87 MAP4K1 (0.64) MAP4K1MAPK1MAP3K11JAK2JAK1
SCHEMBL21592484 0.85 MAP4K1 (0.61) MAP4K1MAPK1MAP3K11
SCHEMBL21592675 0.84 MAP3K11 (0.64) MAP4K1MAP3K11
SCHEMBL21592764 0.82 MAP4K1 (0.52) MAP4K1MAPK1MAP3K11JAK2JAK1
SCHEMBL21592955 0.81 MAP4K1 (0.53) MAP4K1MAPK1HRH3JAK2JAK1
SCHEMBL21592544 0.81 MAP4K1 (0.67) MAP4K1MAPK1MAP3K11JAK2
SCHEMBL21592951 0.80 MAP4K1 (0.60) MAP4K1MAP3K11JAK2JAK1TYK2
SCHEMBL21592703 0.80 MAP4K1 (0.50) MAP4K1MAP3K11JAK2JAK1TYK2
SCHEMBL21592476 0.77 MAP4K1 (0.62) MAP4K1MAP3K11JAK2JAK1TYK2

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