SCHEMBL28501867

SCHEMBL28501867

Cc1cc(-c2cnc3[nH]cc(-c4ccc(C(=O)N(C)CC(C)O)cc4)c3c2)cc2c1N1CCN(C)CC1CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 6/20 1.00
PIK3CG P48736 11/20 0.45
MAP3K11 Q16584 2/20 0.44
TNIK Q9UKE5 1/20 0.43
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 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
SCHEMBL28505749 1.00 MAP4K1 (1.00) MAP4K1PIK3CGMAP3K11TNIKCYP1A2
SCHEMBL28501865 1.00 MAP4K1 (1.00) MAP4K1PIK3CGMAP3K11TNIKCYP1A2
SCHEMBL29869859 1.00 MAP4K1 (1.00) MAP4K1PIK3CGMAP3K11TNIKCYP1A2
SCHEMBL22922557 1.00 MAP4K1 (1.00) MAP4K1PIK3CGMAP3K11TNIKCYP1A2
SCHEMBL29868818 1.00 MAP4K1 (1.00) MAP4K1PIK3CGMAP3K11TNIKCYP1A2
SCHEMBL29869046 1.00 MAP4K1 (1.00) MAP4K1PIK3CGMAP3K11TNIKCYP1A2
SCHEMBL22922558 1.00 MAP4K1 (1.00) MAP4K1PIK3CGMAP3K11TNIKCYP1A2
SCHEMBL22922477 1.00 MAP4K1 (1.00) MAP4K1PIK3CGMAP3K11TNIKCYP1A2
SCHEMBL22922478 1.00 MAP4K1 (1.00) MAP4K1PIK3CGMAP3K11TNIKCYP1A2
SCHEMBL29869214 1.00 MAP4K1 (1.00) MAP4K1PIK3CGMAP3K11TNIKCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112239473-B Process for preparing tricyclic compounds as HPK1 inhibitors 百济神州(北京)生物科技有限公司 2023-12-08 CN disclosed
CN-114127067-A Tricyclic compounds as HPK1 inhibitors and uses thereof 百济神州有限公司 2022-03-01 CN disclosed
CN-112239473-A Tricyclic compounds as HPK1 inhibitors 百济神州(北京)生物科技有限公司 2021-01-19 CN disclosed