SCHEMBL21592967

SCHEMBL21592967

Cc1cc(-c2cnc3[nH]cc(-c4ccc(C(=O)N(C)C[C@@H](C)O)cc4)c3c2)ccc1[C@H]1CCCN(C)C1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 6/20 0.67
TNIK Q9UKE5 2/20 0.44
PIK3CG P48736 4/20 0.43
MAP3K11 Q16584 4/20 0.43
CAMKK2 Q96RR4 3/20 0.40
SGK1 O00141 2/20 0.40
AURKA O14965 1/20 0.40
CAMKK1 Q8N5S9 1/20 0.40
SGK3 Q96BR1 1/20 0.40
SGK2 Q9HBY8 1/20 0.40

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
SCHEMBL28499905 1.00 MAP4K1 (0.67) MAP4K1TNIKPIK3CGMAP3K11CAMKK2
SCHEMBL21592968 1.00 MAP4K1 (0.67) MAP4K1TNIKPIK3CGMAP3K11CAMKK2
SCHEMBL21592946 1.00 MAP4K1 (0.67) MAP4K1TNIKPIK3CGMAP3K11CAMKK2
SCHEMBL21592943 1.00 MAP4K1 (0.67) MAP4K1TNIKPIK3CGMAP3K11CAMKK2
SCHEMBL21593026 0.90 MAP4K1 (0.54) MAP4K1TNIKPIK3CGMAP3K11CAMKK2
SCHEMBL21593007 0.90 MAP4K1 (0.54) MAP4K1TNIKPIK3CGMAP3K11CAMKK2
SCHEMBL21593003 0.90 MAP4K1 (0.54) MAP4K1TNIKPIK3CGMAP3K11CAMKK2
SCHEMBL21592884 0.84 TNIK (0.49) MAP4K1TNIKPIK3CGMAP3K11CAMKK2
SCHEMBL21592888 0.84 TNIK (0.49) MAP4K1TNIKPIK3CGMAP3K11CAMKK2
SCHEMBL21592634 0.82 MAP4K1 (0.68) MAP4K1TNIKPIK3CGMAP3K11

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112243439-A Pyrrolo [2,3-B ] pyridines or pyrrolo [2,3-B ] pyrazines as HPK1 inhibitors and uses thereof 百济神州有限公司 2021-01-19 CN disclosed
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