SCHEMBL29699518

SCHEMBL29699518

Nc1cnc2cc[nH]c2n1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 15/20 0.48
RIPK1 Q13546 1/20 0.39
APP P05067 1/20 0.37
AXL P30530 2/20 0.36
NUDT1 P36639 1/20 0.36
DYRK1A Q13627 1/20 0.35
CDK8 P49336 1/20 0.34

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
SCHEMBL9989891 0.83 MAPK1 (0.60) MAPK1RIPK1AXLCDK8
SCHEMBL12847281 0.75 MAPK1 (0.71) MAPK1RIPK1APPAXLNUDT1
SCHEMBL10141177 0.75 MAPK1 (0.48) MAPK1RIPK1APPAXLNUDT1
SCHEMBL2967092 0.75 MAPK1 (0.48) MAPK1RIPK1APPAXLNUDT1
SCHEMBL25523673 0.75 MAPK1 (0.44) MAPK1RIPK1APPAXLNUDT1
SCHEMBL25207314 0.72 RET (0.41) MAPK1DYRK1A
SCHEMBL20874821 0.72 MAPK1 (0.41) MAPK1RIPK1CDK8
SCHEMBL25934515 0.71 MAPK1 (0.50) MAPK1RIPK1AXLNUDT1DYRK1A
SCHEMBL20875000 0.71 MAPK1 (0.46) MAPK1RIPK1APP
SCHEMBL12810052 0.71 MAPK1 (0.44) MAPK1RIPK1APPAXLNUDT1

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-119661557-A Disubstituted nitrogen-containing five-membered heteroaryl compounds as kinase inhibitors and uses thereof 上海瑛派药业有限公司 2025-03-21 CN claimed
EP-3450436-B1 CONDENSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2022-07-27 EP disclosed