SCHEMBL9905667

SCHEMBL9905667

CC(Nc1ccc2ncc(-c3ccc[nH]c3=O)n2n1)c1ccc(F)cn1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 5/20 0.44
ALK Q9UM73 4/20 0.44
JAK2 O60674 4/20 0.42
JAK3 P52333 3/20 0.42
JAK1 P23458 2/20 0.42
FYN P06241 4/20 0.41
MKNK1 Q9BUB5 3/20 0.41
DYRK1A Q13627 6/20 0.39
DYRK2 Q92630 6/20 0.39
DYRK1B Q9Y463 6/20 0.39
DYRK3 O43781 5/20 0.39
CCNA2 P20248 2/20 0.39
CDK2 P24941 2/20 0.39
CDK5 Q00535 2/20 0.39
CDK5R1 Q15078 2/20 0.39
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.37

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
SCHEMBL9903902 1.00 NTRK1 (0.44) NTRK1ALKJAK2JAK3JAK1
SCHEMBL9903343 1.00 NTRK1 (0.44) NTRK1ALKJAK2JAK3JAK1
SCHEMBL9905682 0.88 ALK (0.44) NTRK1ALKFYNMKNK1DYRK1A
SCHEMBL9902785 0.88 ALK (0.44) NTRK1ALKFYNMKNK1DYRK1A
SCHEMBL9903474 0.88 NTRK1 (0.46) NTRK1ALKJAK2JAK3JAK1
SCHEMBL8513514 0.88 ALK (0.44) NTRK1ALKJAK2JAK3JAK1
SCHEMBL8513505 0.88 ALK (0.44) NTRK1ALKJAK2JAK3JAK1
SCHEMBL9903333 0.86 NTRK1 (0.47) NTRK1ALKJAK2JAK3JAK1
SCHEMBL9903335 0.86 NTRK1 (0.47) NTRK1ALKJAK2JAK3JAK1
SCHEMBL9905701 0.85 ALK (0.44) NTRK1ALKJAK2JAK3JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2463289-A1 Imidazo[1,2-b]pyridazine derivatives as JAK inhibitors Almirall, S.A. (ES) 2012-06-13 EP claimed
EP-2463289-A1 Imidazo[1,2-b]pyridazine derivatives as JAK inhibitors Almirall, S.A. (ES) 2012-06-13 EP disclosed