SCHEMBL31663091

SCHEMBL31663091

c1cc2ccc(CNc3cnc4ccc(NC5CCCCC5)nc4n3)cc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.39
CSF1R P07333 2/20 0.38
CDC7 O00311 2/20 0.38
WEE1 P30291 1/20 0.38
ABL1 P00519 1/20 0.38
S1PR1 P21453 1/20 0.38
CCNT1 O60563 3/20 0.37
PDGFRB P09619 2/20 0.37
PDGFRA P16234 2/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MET P08581 1/20 0.37
CDK9 P50750 1/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
JAK3 P52333 1/20 0.36
ADORA3 P0DMS8 1/20 0.36

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
SCHEMBL31663130 0.91 CCNT1 (0.40) ROCK2ABL1CCNT1PDGFRBPDGFRA
SCHEMBL31663275 0.90 CCNT1 (0.41) ABL1CCNT1
SCHEMBL31662916 0.90 MAPK1 (0.46) ROCK2ABL1CCNT1METCDK9
SCHEMBL31663270 0.88 IRAK4 (0.44) ABL1CCNT1METCDK9MAPK1
SCHEMBL31663161 0.87 ABL1 (0.39) ROCK2ABL1CCNT1PDGFRBPDGFRA
SCHEMBL31662905 0.87 ABL1 (0.39) ROCK2ABL1CCNT1PDGFRBPDGFRA
SCHEMBL31663024 0.86 ABL1 (0.36) ROCK2ABL1CCNT1METCDK9
SCHEMBL31663094 0.84 ABL1 (0.37) ROCK2ABL1CCNT1METCDK9
SCHEMBL31662929 0.84 ABL1 (0.39) ROCK2ABL1CCNT1METCDK9
SCHEMBL31663364 0.81 ABL1 (0.41) ABL1CCNT1PDGFRBPDGFRAMET

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
WO-2025149622-A1 WNK1 INHIBITORS DANIA THERAPEUTICS APS (DK) 2025-07-17 WO claimed
WO-2025149622-A1 WNK1 INHIBITORS DANIA THERAPEUTICS APS (DK) 2025-07-17 WO disclosed