SCHEMBL28587404

SCHEMBL28587404

CN1CCc2ccc(-c3cnc4[nH]cc(-c5ccc(C(=O)O)cc5)c4c3)cc2C1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AXL P30530 4/20 0.62
CAMKK2 Q96RR4 4/20 0.62
SGK1 O00141 3/20 0.62
PAK1 Q13153 3/20 0.61
MAP4K1 Q92918 2/20 0.58
PKN1 Q16512 1/20 0.57
MAP3K11 Q16584 4/20 0.55
PIK3CG P48736 1/20 0.54
TNIK Q9UKE5 1/20 0.51
NEK1 Q96PY6 1/20 0.50

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
SCHEMBL28597666 0.90 MAP4K1 (0.73) AXLCAMKK2SGK1PAK1MAP4K1
SCHEMBL28587620 0.88 PIK3CG (0.59) AXLCAMKK2SGK1PAK1MAP4K1
SCHEMBL28605050 0.87 MAP4K1 (0.71) AXLCAMKK2SGK1PAK1MAP4K1
SCHEMBL28604463 0.86 MAP3K11 (0.57) AXLCAMKK2SGK1PAK1MAP4K1
SCHEMBL28597683 0.85 MAP4K1 (0.59) AXLCAMKK2SGK1PAK1MAP4K1
SCHEMBL31344461 0.84 PAK1 (0.56) CAMKK2PAK1MAP4K1PKN1MAP3K11
SCHEMBL31553233 0.83 MAP4K1 (0.61) SGK1PAK1MAP4K1PKN1MAP3K11
SCHEMBL29767435 0.83 PAK1 (0.54) CAMKK2PAK1MAP4K1PKN1MAP3K11
SCHEMBL28829877 0.83 PAK1 (0.54) CAMKK2PAK1MAP4K1PKN1MAP3K11
SCHEMBL28504766 0.82 AXL (0.67) AXLCAMKK2SGK1MAP4K1MAP3K11

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