SCHEMBL31728461

SCHEMBL31728461

O=C1NCCn2nc(-c3ccnc4[nH]ncc34)c(-c3ccccc3)c21

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 8/20 0.43
NUDT1 P36639 3/20 0.41
CSNK1A1 P48729 2/20 0.39
CSNK1E P49674 2/20 0.39
TNIK Q9UKE5 2/20 0.39
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
BUB1 O43683 1/20 0.38
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
PRKCQ Q04759 5/20 0.36
JAK2 O60674 1/20 0.36
ROCK2 O75116 1/20 0.36
PRKCD Q05655 1/20 0.36
ROCK1 Q13464 1/20 0.36
CHEK1 O14757 1/20 0.36
BRD4 O60885 1/20 0.35

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
SCHEMBL31728655 0.84 CSNK1D (0.41) CSNK1DNUDT1CSNK1A1CSNK1ETNIK
SCHEMBL29545101 0.83 CSNK1D (0.43) CSNK1DNUDT1CSNK1A1CSNK1ETNIK
SCHEMBL31729452 0.80 NUDT1 (0.41) CSNK1DNUDT1MAPK11MAPK14BUB1
SCHEMBL31729431 0.74 CDC7 (0.49) CSNK1DCSNK1EMAPK11MAPK14BUB1
SCHEMBL29544554 0.73 BRD4 (0.38) CSNK1DNUDT1CSNK1A1CSNK1ETNIK
SCHEMBL31729337 0.71 PARP1 (0.32)
SCHEMBL31729373 0.71 PIK3CD (0.35)
SCHEMBL4201396 0.70 NUDT1 (0.68) CSNK1DNUDT1CSNK1A1MAPK11MAPK14
SCHEMBL31728685 0.69 TNK2 (0.45)
SCHEMBL31728753 0.69 HTR2C (0.37)

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-2025235872-A1 HETEROCYCLICS AS EGFR INHIBITORS SCHRÖDINGER, INC. (US) 2025-11-13 WO disclosed