SCHEMBL7658323

SCHEMBL7658323

NC(CC(=O)O)NC(=O)c1ccc(N2CCN(C3=NCCCN3)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
JAK3 P52333 1/20 0.41
ITGB3 P05106 6/20 0.40
ITGA2B P08514 5/20 0.40
ITGAV P06756 4/20 0.40
SMYD3 Q9H7B4 2/20 0.39
HDAC6 Q9UBN7 1/20 0.39
SCN9A Q15858 1/20 0.38
ITGA2 P17301 1/20 0.36
ITK Q08881 2/20 0.36
AURKA O14965 2/20 0.35
KIT P10721 1/20 0.35
SRC P12931 1/20 0.35
TTK P33981 1/20 0.35
FLT3 P36888 1/20 0.35
AURKB Q96GD4 1/20 0.35
INCENP Q9NQS7 1/20 0.35
CTSK P43235 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
SCHEMBL7654498 0.85 ITGB3 (0.44) ITGB3ITGA2BITGAVSCN9A
SCHEMBL383018 0.83 ITGB3 (0.59) ITGB3ITGA2BITGAVSMYD3
SCHEMBL7658395 0.82 HDAC1 (0.39) JAK2JAK1JAK3ITGB3ITGA2B
SCHEMBL7658303 0.82 ITGB3 (0.49) JAK2JAK1JAK3ITGB3ITGA2B
SCHEMBL7651202 0.81 ITGB3 (0.53) JAK2JAK1JAK3ITGB3ITGA2B
SCHEMBL7651445 0.81 JAK2 (0.38) JAK2JAK1JAK3ITGB3ITGA2B
SCHEMBL7652723 0.79 ITGB3 (0.46) ITGB3ITGA2BITGAVAURKAFLT3
SCHEMBL7651659 0.78 RAB9A (0.54)
SCHEMBL7658383 0.74 ITGB3 (0.49) JAK2JAK1JAK3ITGB3ITGA2B
SCHEMBL7651433 0.72 ITGB3 (0.48) JAK2JAK1JAK3ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6451800-B1 Phenylpiperazine derivatives as integrin αvβ3 antagonists MEIJI SEIKA KAISHA, LTD. (JP) 2002-09-17 US claimed
EP-1057818-A1 PHENYLPIPERAZINE DERIVATIVES AS INTEGRIN ALPHAvBETA3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2000-12-06 EP claimed
US-6451800-B1 Phenylpiperazine derivatives as integrin αvβ3 antagonists MEIJI SEIKA KAISHA, LTD. (JP) 2002-09-17 US disclosed
EP-1057818-A1 PHENYLPIPERAZINE DERIVATIVES AS INTEGRIN ALPHAvBETA3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2000-12-06 EP disclosed