SCHEMBL28596015

SCHEMBL28596015

CN1CCC(N2CCc3cc(-c4cnc5[nH]cc(-c6ccc(C(=O)N(C)C)cc6)c5c4)ccc3C2)CC1

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 6/20 0.78
TNIK Q9UKE5 1/20 0.52
PAK1 Q13153 3/20 0.47
PKN1 Q16512 1/20 0.47
MAP3K11 Q16584 4/20 0.47
PIK3CG P48736 2/20 0.44
SGK1 O00141 2/20 0.44
ABL1 P00519 1/20 0.44
IL2 P60568 1/20 0.43
AXL P30530 2/20 0.43
CAMKK2 Q96RR4 1/20 0.43

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
SCHEMBL28605050 0.89 MAP4K1 (0.71) MAP4K1TNIKPAK1PKN1MAP3K11
SCHEMBL28600335 0.88 MAP4K1 (0.61) MAP4K1TNIKPAK1PKN1MAP3K11
SCHEMBL28597666 0.86 MAP4K1 (0.73) MAP4K1TNIKPAK1PKN1MAP3K11
SCHEMBL21592527 0.84 MAP4K1 (0.63) MAP4K1TNIKMAP3K11SGK1IL2
SCHEMBL28605062 0.82 MAP4K1 (0.65) MAP4K1TNIKPIK3CG
SCHEMBL21592926 0.82 MAP4K1 (0.78) MAP4K1TNIKMAP3K11PIK3CGSGK1
SCHEMBL28600308 0.82 MAP4K1 (0.61) MAP4K1TNIKPAK1PKN1MAP3K11
SCHEMBL28596016 0.80 MAP4K1 (0.52) MAP4K1PAK1PKN1MAP3K11PIK3CG
SCHEMBL21593027 0.80 MAP4K1 (0.59) MAP4K1TNIKMAP3K11PIK3CGSGK1
SCHEMBL28917806 0.80 MAP4K1 (0.58) MAP4K1TNIKPAK1PKN1MAP3K11

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
CN-113166139-A Pyrrolo [2,3-b ] pyridines as HPK1 inhibitors and uses thereof 百济神州有限公司 2021-07-23 CN disclosed