SCHEMBL29068390

SCHEMBL29068390

c1cc(-c2ccc(-c3cccc4[nH]cnc34)o2)c2nc[nH]c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.48
PARP1 P09874 1/20 0.45
AURKA O14965 1/20 0.39
JAK2 O60674 1/20 0.39
RPS6KA2 Q15349 1/20 0.39
DPP4 P27487 1/20 0.37
DRD4 P21917 3/20 0.36
DRD3 P35462 3/20 0.36
ABL1 P00519 1/20 0.36
DRD2 P14416 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
PRNP P04156 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ATR Q13535 2/20 0.34
LMNA P02545 2/20 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
SCHEMBL20878376 0.84 BRD4 (0.56) BRD4PARP1AURKAJAK2RPS6KA2
SCHEMBL3858256 0.76 DPP4 (0.57) BRD4PARP1DPP4DRD4DRD3
SCHEMBL29477064 0.76 DPP4 (0.57) BRD4PARP1DPP4DRD4DRD3
SCHEMBL13737221 0.74 BRD4 (0.40) BRD4PARP1AURKAJAK2RPS6KA2
SCHEMBL31690459 0.74 CHEK1 (0.46) BRD4PARP1DRD4DRD3MEN1
SCHEMBL15172954 0.73 BRD4 (0.39) BRD4PARP1AURKAJAK2RPS6KA2
SCHEMBL20828600 0.73 BRD4 (0.51) BRD4PARP1DPP4
SCHEMBL17303475 0.73 BRD4 (0.43) BRD4PARP1AURKAJAK2RPS6KA2
SCHEMBL28426754 0.71 BRD4 (0.46) BRD4PARP1DPP4DRD4DRD3
SCHEMBL9339990 0.71 BRD4 (0.46) BRD4PARP1DPP4ALDH1A1HPGD

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
CN-114736372-B Polyimide film and preparation method thereof 深圳市华科创智技术有限公司 2023-08-01 CN disclosed