SCHEMBL22922593

SCHEMBL22922593

CCc1cc(-c2cnc3[nH]cc(-c4ccc(C(=O)N(C)CC(C)(C)O)c(C)c4)c3n2)cc(C)c1N1CCN(C)CC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 8/20 0.56
JAK2 O60674 3/20 0.36
JAK1 P23458 3/20 0.36
TYK2 P29597 3/20 0.36
JAK3 P52333 3/20 0.36
MAPK1 P28482 5/20 0.34
TNIK Q9UKE5 1/20 0.34
BTK Q06187 1/20 0.34
ITK Q08881 1/20 0.34
TACR1 P25103 1/20 0.34
SGK1 O00141 1/20 0.33
CAMKK2 Q96RR4 1/20 0.33

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
SCHEMBL22922399 0.94 MAP4K1 (0.57) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL22922391 0.91 MAP4K1 (0.68) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL21592916 0.88 MAP4K1 (0.61) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL22922490 0.85 MAP4K1 (0.58) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL21593058 0.84 MAP4K1 (0.74) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL29608679 0.84 MAP4K1 (0.81) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL22858789 0.84 MAP4K1 (0.81) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL22922592 0.83 MAP4K1 (0.56) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL22922493 0.83 MAP4K1 (0.56) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL29869138 0.83 MAP4K1 (0.56) 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-2021013083-A1 TRICYCLIC COMPOUNDS AS HPK1 INHIBITOR AND THE USE THEREOF BEIGENE, LTD. (KY) 2021-01-28 WO disclosed