SCHEMBL22922397

SCHEMBL22922397

CCc1cc(-c2cnc3[nH]cc(-c4ccc(C(=O)N(C)CC5CCOC5)cc4)c3n2)cc(C)c1N1CCN(C)CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 8/20 0.53
CYP11B2 P19099 1/20 0.35
MAPK1 P28482 2/20 0.34
DYRK1B Q9Y463 1/20 0.34
EGLN1 Q9GZT9 2/20 0.33
JAK2 O60674 2/20 0.33
JAK1 P23458 2/20 0.33
TYK2 P29597 2/20 0.33
JAK3 P52333 2/20 0.33
SYK P43405 1/20 0.33
MAP3K11 Q16584 1/20 0.33
OPRM1 P35372 1/20 0.32
TNIK Q9UKE5 1/20 0.32

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
SCHEMBL22922565 0.88 MAP4K1 (0.56) MAP4K1DYRK1BMAP3K11TNIK
SCHEMBL22922490 0.86 MAP4K1 (0.58) MAP4K1MAPK1JAK2JAK1TYK2
SCHEMBL22922395 0.86 MAP4K1 (0.61) MAP4K1CYP11B2MAPK1EGLN1JAK2
SCHEMBL29869239 0.86 MAP4K1 (0.61) MAP4K1CYP11B2MAPK1EGLN1JAK2
SCHEMBL29869467 0.86 MAP4K1 (0.61) MAP4K1CYP11B2MAPK1EGLN1JAK2
SCHEMBL22922396 0.86 MAP4K1 (0.61) MAP4K1CYP11B2MAPK1EGLN1JAK2
SCHEMBL22858788 0.85 MAP4K1 (0.66) MAP4K1CYP11B2MAPK1EGLN1
SCHEMBL29608439 0.85 MAP4K1 (0.66) MAP4K1CYP11B2MAPK1EGLN1
SCHEMBL22858884 0.85 MAP4K1 (0.66) MAP4K1CYP11B2MAPK1EGLN1
SCHEMBL22922399 0.84 MAP4K1 (0.57) MAP4K1MAPK1JAK2JAK1TYK2

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-2021013083-A1 TRICYCLIC COMPOUNDS AS HPK1 INHIBITOR AND THE USE THEREOF BEIGENE, LTD. (KY) 2021-01-28 WO disclosed