SCHEMBL21592893

SCHEMBL21592893

Cc1cc(-c2cnc3[nH]cc(-c4ccc(C(=O)N(C)C)c(-c5ccccc5)c4)c3c2)ccc1N1CCN(C)CC1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 4/20 0.57
CAMKK2 Q96RR4 5/20 0.56
TNIK Q9UKE5 4/20 0.55
SGK1 O00141 4/20 0.48
IGF1R P08069 2/20 0.48
AXL P30530 4/20 0.47
NEK1 Q96PY6 1/20 0.46

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
SCHEMBL21592622 0.92 MAP4K1 (0.59) MAP4K1CAMKK2TNIK
SCHEMBL21592895 0.91 MAP4K1 (0.57) MAP4K1CAMKK2TNIKSGK1AXL
SCHEMBL21592647 0.88 MAP4K1 (0.62) MAP4K1CAMKK2TNIKSGK1AXL
SCHEMBL21592934 0.87 MAP4K1 (0.58) MAP4K1CAMKK2TNIK
SCHEMBL21592631 0.87 MAP4K1 (0.57) MAP4K1CAMKK2TNIK
SCHEMBL21593056 0.87 MAP4K1 (0.58) MAP4K1CAMKK2TNIKSGK1
SCHEMBL21592757 0.87 MAP4K1 (0.54) MAP4K1CAMKK2TNIK
SCHEMBL21592937 0.86 MAP4K1 (0.56) MAP4K1CAMKK2TNIK
SCHEMBL21592874 0.85 MAP4K1 (0.58) MAP4K1CAMKK2TNIKSGK1AXL
SCHEMBL28502217 0.85 MAP4K1 (0.59) MAP4K1CAMKK2TNIKSGK1

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