SCHEMBL6092410

SCHEMBL6092410

O=C1NN=C(c2cccnc2)/C1=C\c1cc(Br)c[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.41
PDPK1 O15530 1/20 0.41
AKT2 P31751 1/20 0.41
JAK3 P52333 4/20 0.40
JAK2 O60674 1/20 0.40
KDR P35968 3/20 0.40
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 2/20 0.37
AURKA O14965 1/20 0.37
TTK P33981 1/20 0.37
AURKB Q96GD4 1/20 0.37
INCENP Q9NQS7 1/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
RAF1 P04049 2/20 0.36
PIK3C3 Q8NEB9 1/20 0.36
LRRK2 Q5S007 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
SCHEMBL6092411 1.00 ALK (0.41) ALKPDPK1AKT2JAK3JAK2
SCHEMBL6091052 0.86 ALK (0.41) ALKPDPK1AKT2JAK3JAK2
SCHEMBL6091055 0.86 ALK (0.41) ALKPDPK1AKT2JAK3JAK2
SCHEMBL6102271 0.81 JAK3 (0.57) ALKPDPK1JAK3JAK2KDR
SCHEMBL6102265 0.81 JAK3 (0.57) ALKPDPK1JAK3JAK2KDR
SCHEMBL6088970 0.80 KDR (0.56) JAK3KDRMAP4K1
SCHEMBL6088961 0.80 KDR (0.56) JAK3KDRMAP4K1
SCHEMBL6090504 0.78 ALK (0.41) ALKPDPK1AKT2KDRLMNA
SCHEMBL6090494 0.78 ALK (0.41) ALKPDPK1AKT2KDRLMNA
SCHEMBL6089601 0.77 RAF1 (0.61) ALKKDRLMNAMAPTKMT2A

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
US-7060822-B1 2-pyrazolin-5-ones ABBOTT GMBH & CO. KG (DE) 2006-06-13 US disclosed