SCHEMBL9905682

SCHEMBL9905682

CC(Nc1ccc2ncc(-c3ccc[nH]c3=O)n2n1)c1ncc(F)cn1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 2/20 0.44
NTRK1 P04629 1/20 0.44
FYN P06241 7/20 0.42
MKNK1 Q9BUB5 3/20 0.40
DYRK1A Q13627 8/20 0.38
DYRK2 Q92630 8/20 0.38
DYRK1B Q9Y463 8/20 0.38
DYRK3 O43781 7/20 0.38
CCNA2 P20248 4/20 0.38
CDK2 P24941 4/20 0.38
CDK5 Q00535 4/20 0.38
CDK5R1 Q15078 4/20 0.38
CCNT1 O60563 3/20 0.38
CDK9 P50750 3/20 0.38
ATR Q13535 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
SCHEMBL9902785 1.00 ALK (0.44) ALKNTRK1FYNMKNK1DYRK1A
SCHEMBL9905667 0.88 NTRK1 (0.44) ALKNTRK1FYNMKNK1DYRK1A
SCHEMBL9903343 0.88 NTRK1 (0.44) ALKNTRK1FYNMKNK1DYRK1A
SCHEMBL9903902 0.88 NTRK1 (0.44) ALKNTRK1FYNMKNK1DYRK1A
SCHEMBL9903726 0.87 ALK (0.45) ALKNTRK1FYNMKNK1DYRK1A
SCHEMBL9903730 0.87 ALK (0.45) ALKNTRK1FYNMKNK1DYRK1A
SCHEMBL9905636 0.85 FYN (0.46) ALKNTRK1FYNMKNK1DYRK1A
SCHEMBL8512932 0.85 FYN (0.46) ALKNTRK1FYNMKNK1DYRK1A
SCHEMBL9902199 0.83 ATR (0.35) ALKNTRK1CDK2ATR
SCHEMBL9902207 0.83 ATR (0.35) ALKNTRK1CDK2ATR

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