SCHEMBL29599640

SCHEMBL29599640

N[C@@H]1CCCN(c2c(Br)cnc3[nH]cc(NC(=O)c4cccnc4)c23)C1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIM2 Q9P1W9 7/20 0.47
PIM3 Q86V86 4/20 0.47
PIM1 P11309 2/20 0.47
ROCK2 O75116 3/20 0.44
ROCK1 Q13464 3/20 0.44
CDC42BPB Q9Y5S2 3/20 0.44
CDC42BPA Q5VT25 1/20 0.44
HDAC1 Q13547 1/20 0.44
AAK1 Q2M2I8 5/20 0.43
NPC1 O15118 2/20 0.41
ALDH1A1 P00352 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
GFER P55789 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
LRRK2 Q5S007 1/20 0.40

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
SCHEMBL1468800 1.00 PIM2 (0.47) PIM2PIM3PIM1ROCK2ROCK1
SCHEMBL1468799 1.00 PIM2 (0.47) PIM2PIM3PIM1ROCK2ROCK1
SCHEMBL1470547 1.00 PIM2 (0.47) PIM2PIM3PIM1ROCK2ROCK1
Hydrochloric Acid SCHEMBL1468476 0.99 PIM2 (0.46) PIM2PIM3PIM1ROCK2ROCK1
Hydrochloric Acid SCHEMBL1468479 0.99 PIM2 (0.46) PIM2PIM3PIM1ROCK2ROCK1
Hydrochloric Acid SCHEMBL1469007 0.99 PIM2 (0.46) PIM2PIM3PIM1ROCK2ROCK1
SCHEMBL21468691 0.97 HDAC1 (0.45) PIM2PIM3PIM1ROCK2ROCK1
SCHEMBL1468677 0.95 AAK1 (0.44) PIM2PIM3PIM1ROCK2ROCK1
SCHEMBL1468679 0.95 AAK1 (0.44) PIM2PIM3PIM1ROCK2ROCK1
Hydrochloric Acid SCHEMBL1468584 0.94 AAK1 (0.44) PIM2PIM3PIM1ROCK2ROCK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11304939-B2 Methods for treating oral cancers CHANG GUNG UNIVERSITY (TW) 2022-04-19 US claimed
CN-113667747-B Method for treating oral cancer 长庚大学 2025-01-24 CN disclosed
EP-3056210-B1 DRUG FOR PREVENTION OR TREATMENT OF SPINOCEREBELLAR DEGENERATION UNIV NAT CORP TOKYO MEDICAL & DENTAL (JP) 2022-05-11 EP disclosed