SCHEMBL21592867

SCHEMBL21592867

Cc1cc(-c2cnc3[nH]cc(-c4ccc(C(=O)N5CC(N(C)C)C5)cc4)c3c2)cc(C)c1N1CCN(CCO)CC1

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 5/20 0.78
MAP3K11 Q16584 6/20 0.49
MAP3K9 P80192 1/20 0.45
TNIK Q9UKE5 5/20 0.44
PIK3CG P48736 2/20 0.42
CAMKK2 Q96RR4 1/20 0.42
SGK1 O00141 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
SCHEMBL21592914 0.92 MAP4K1 (0.65) MAP4K1MAP3K11MAP3K9TNIKPIK3CG
SCHEMBL21592739 0.87 MAP4K1 (1.00) MAP4K1MAP3K11TNIKPIK3CGCAMKK2
SCHEMBL21592972 0.87 MAP4K1 (0.59) MAP4K1MAP3K11MAP3K9TNIKCAMKK2
SCHEMBL21592876 0.86 MAP4K1 (0.58) MAP4K1MAP3K11MAP3K9TNIKCAMKK2
SCHEMBL21592975 0.85 MAP4K1 (0.74) MAP4K1MAP3K11MAP3K9TNIKPIK3CG
SCHEMBL21592761 0.85 MAP4K1 (0.57) MAP4K1MAP3K11MAP3K9TNIKPIK3CG
SCHEMBL21592823 0.85 MAP4K1 (0.75) MAP4K1MAP3K11TNIKPIK3CGCAMKK2
SCHEMBL21592974 0.84 MAP4K1 (0.56) MAP4K1MAP3K11MAP3K9TNIKCAMKK2
SCHEMBL21592790 0.84 MAP4K1 (0.74) MAP4K1MAP3K11TNIKCAMKK2
SCHEMBL21592966 0.83 MAP4K1 (0.73) MAP4K1MAP3K11TNIKPIK3CGCAMKK2

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