SCHEMBL21592947

SCHEMBL21592947

CN1CCC(c2ccc(-c3cnc4[nH]cc(-c5ccc(C(=O)N(C)C)cc5)c4c3)cc2)C1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 7/20 0.57
IL2 P60568 2/20 0.57
TNIK Q9UKE5 3/20 0.56
MAP3K11 Q16584 3/20 0.51
SGK1 O00141 3/20 0.50
AXL P30530 2/20 0.49
CAMKK2 Q96RR4 2/20 0.49
PRKAB2 O43741 1/20 0.46
PRKAG1 P54619 1/20 0.46
PRKAA2 P54646 1/20 0.46
PRKAA1 Q13131 1/20 0.46
PRKAG3 Q9UGI9 1/20 0.46
PRKAG2 Q9UGJ0 1/20 0.46
PRKAB1 Q9Y478 1/20 0.46
IGF1R P08069 1/20 0.46
ABL1 P00519 1/20 0.45

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
SCHEMBL21593015 0.95 TNIK (0.55) MAP4K1IL2TNIKMAP3K11SGK1
SCHEMBL21593030 0.85 MAP4K1 (0.58) MAP4K1IL2TNIKMAP3K11SGK1
SCHEMBL21592948 0.84 MAP4K1 (0.59) MAP4K1IL2TNIKMAP3K11SGK1
SCHEMBL21593027 0.84 MAP4K1 (0.59) MAP4K1IL2TNIKMAP3K11SGK1
SCHEMBL21592945 0.84 MAP4K1 (0.57) MAP4K1IL2TNIKMAP3K11AXL
SCHEMBL21592788 0.83 MAP4K1 (0.58) MAP4K1IL2TNIKMAP3K11SGK1
SCHEMBL21592581 0.82 TNIK (0.57) MAP4K1IL2TNIKMAP3K11SGK1
SCHEMBL21592577 0.82 TNIK (0.57) MAP4K1IL2TNIKMAP3K11SGK1
SCHEMBL21593024 0.82 MAP4K1 (0.62) MAP4K1IL2TNIKMAP3K11SGK1
SCHEMBL26145994 0.82 MAP4K1 (0.60) MAP4K1TNIKMAP3K11SGK1AXL

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