SCHEMBL25852792

SCHEMBL25852792

O=C1Cc2c(ncc3ccccc23)N1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK5 Q00535 15/20 0.46
▸ GSK3B P49841 14/20 0.46
▸ GSK3A P49840 4/20 0.46
▸ CDK9 P50750 3/20 0.46
▸ CHEK1 O14757 1/20 0.46
▸ AURKA O14965 1/20 0.46
▸ DAPK3 O43293 1/20 0.46
▸ PRKD3 O94806 1/20 0.46
▸ MAP4K4 O95819 1/20 0.46
▸ ABL1 P00519 1/20 0.46
▸ NTRK1 P04629 1/20 0.46
▸ CSF1R P07333 1/20 0.46
▸ RET P07949 1/20 0.46
▸ MET P08581 1/20 0.46
▸ PDGFRB P09619 1/20 0.46
▸ PIM1 P11309 1/20 0.46
▸ FGFR1 P11362 1/20 0.46
▸ PDGFRA P16234 1/20 0.46
▸ FLT1 P17948 1/20 0.46
▸ LTK P29376 1/20 0.46

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
SCHEMBL10923229 0.85 CRBN (0.43) CDK5GSK3BGSK3ACDK9CHEK1
SCHEMBL31032294 0.78 CDK5 (0.48) CDK5GSK3BGSK3ACDK9CHEK1
SCHEMBL10923189 0.71 TP53 (0.39) CDK5GSK3BGSK3ACDK9CHEK1
SCHEMBL25853873 0.70 ACVR1 (0.49) GSK3BABL1METCDK8DYRK1A
SCHEMBL31380022 0.70 ACVR1 (0.49) GSK3BABL1METCDK8DYRK1A
SCHEMBL25853870 0.70 DYRK1A (0.44) GSK3BDYRK1A
SCHEMBL25853872 0.70 ACVR1 (0.46) GSK3BABL1DYRK1A
SCHEMBL29124061 0.70 CDK5 (0.47) CDK5GSK3BGSK3ACDK9CDK5R1
SCHEMBL7594487 0.69 CYP11B1 (0.42) KDRALDH1A1PARP1PRKCIPDE4B
SCHEMBL13854136 0.68 CDK9 (0.66) CDK5GSK3BGSK3ACDK9CHEK1

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-2023107723-A2 METHODS FOR TREATING NEUROLOGICAL DISORDERS PROTHENA BIOSCIENCES LIMITED (IE) 2023-06-15 — — WO disclosed
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