SCHEMBL31529937

SCHEMBL31529937

O=C1NCCc2[nH]c3c(c21)CCc1cnccc1-3

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 8/20 0.60
CDC7 O00311 3/20 0.50
BUB1 O43683 6/20 0.49
EGFR P00533 3/20 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
SCHEMBL31529936 1.00 MAPKAPK2 (0.60) MAPKAPK2CDC7BUB1EGFR
SCHEMBL31529860 0.79 CDC7 (0.44) MAPKAPK2CDC7
SCHEMBL31529797 0.79 MAPKAPK2 (0.66) MAPKAPK2
SCHEMBL3579503 0.79 MAPKAPK2 (0.66) MAPKAPK2CDC7
SCHEMBL1909391 0.75 MAPKAPK2 (0.62) MAPKAPK2
SCHEMBL792914 0.73 PARP10 (0.58) MAPKAPK2CDC7
SCHEMBL426351 0.73 CDC7 (0.41) MAPKAPK2CDC7BUB1
SCHEMBL31529806 0.72 MAPKAPK2 (0.58) MAPKAPK2
SCHEMBL30625731 0.72 BUB1 (0.64) MAPKAPK2CDC7BUB1EGFR
SCHEMBL30935099 0.71 MAPKAPK2 (0.57) MAPKAPK2CDC7BUB1

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-2025096869-A1 PYRROLO-ISOQUINOLINE COMPOUNDS AND THEIR USE IN THERAPY MATCHPOINT THERAPEUTICS INC. (US) 2025-05-08 WO disclosed