SCHEMBL21592998

SCHEMBL21592998

CN[C@@H]1CCN(c2ccc(-c3cnc4[nH]cc(-c5ccc(C(=O)N(C)C)cc5)c4c3)cc2C)C1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 6/20 0.53
TNIK Q9UKE5 1/20 0.46
CAMKK2 Q96RR4 3/20 0.44
SGK1 O00141 3/20 0.44
PIK3CG P48736 2/20 0.44
MAP3K11 Q16584 4/20 0.44
ABL1 P00519 1/20 0.44
AXL P30530 2/20 0.43
IGF1R P08069 1/20 0.43
CYP3A4 P08684 1/20 0.42

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
SCHEMBL21593000 1.00 MAP4K1 (0.53) MAP4K1TNIKCAMKK2SGK1PIK3CG
SCHEMBL21592820 1.00 MAP4K1 (0.53) MAP4K1TNIKCAMKK2SGK1PIK3CG
SCHEMBL21593039 0.95 MAP4K1 (0.52) MAP4K1TNIKCAMKK2SGK1PIK3CG
SCHEMBL21593023 0.95 MAP4K1 (0.52) MAP4K1TNIKCAMKK2SGK1PIK3CG
SCHEMBL21593025 0.95 MAP4K1 (0.52) MAP4K1TNIKCAMKK2SGK1PIK3CG
SCHEMBL21592618 0.95 MAP4K1 (0.55) MAP4K1TNIKCAMKK2SGK1PIK3CG
SCHEMBL21592899 0.90 MAP4K1 (0.61) MAP4K1TNIKCAMKK2SGK1PIK3CG
SCHEMBL28502163 0.90 MAP4K1 (0.61) MAP4K1TNIKCAMKK2SGK1PIK3CG
SCHEMBL21592936 0.90 MAP4K1 (0.61) MAP4K1TNIKCAMKK2SGK1PIK3CG
SCHEMBL21592963 0.89 MAP4K1 (0.57) MAP4K1TNIKCAMKK2SGK1PIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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