SCHEMBL20119977

SCHEMBL20119977

CCCCNc1ccc2ncc(-c3ccc(C)cc3)n2n1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FYN P06241 16/20 0.66
MKNK1 Q9BUB5 4/20 0.63
CCNT1 O60563 1/20 0.55
ABL1 P00519 1/20 0.55
PGK1 P00558 1/20 0.55
CDK1 P06493 1/20 0.55
PIM1 P11309 1/20 0.55
CCNB1 P14635 1/20 0.55
CCNA2 P20248 1/20 0.55
CDK2 P24941 1/20 0.55
CSNK1E P49674 1/20 0.55
GSK3A P49840 1/20 0.55
GSK3B P49841 1/20 0.55
CDK9 P50750 1/20 0.55
JAK3 P52333 1/20 0.55
CDK5 Q00535 1/20 0.55
CDK5R1 Q15078 1/20 0.55
HASPIN Q8TF76 1/20 0.55
AURKB Q96GD4 1/20 0.55

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
SCHEMBL2948191 0.90 MKNK1 (0.78) FYNMKNK1
SCHEMBL15254347 0.87 FYN (0.62) FYNMKNK1CCNT1ABL1PGK1
SCHEMBL15254363 0.86 FYN (0.62) FYNMKNK1CCNT1ABL1PGK1
SCHEMBL15254710 0.86 FYN (0.87) FYNMKNK1PIM1
SCHEMBL15254305 0.85 FYN (0.71) FYNMKNK1PIM1
SCHEMBL19467190 0.85 FYN (0.63) FYNMKNK1CCNT1ABL1PGK1
SCHEMBL15254979 0.84 FYN (0.59) FYNMKNK1CCNT1ABL1PGK1
SCHEMBL15255030 0.84 FYN (0.61) FYNMKNK1CCNT1ABL1PGK1
SCHEMBL2947844 0.84 IKBKB (0.58) FYNMKNK1
SCHEMBL15254864 0.84 FYN (0.69) FYNMKNK1PIM1

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-2822559-B1 IMIDAZO[1,2-B]PYRIDAZINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND USES THEREOF LEXICON PHARMACEUTICALS INC (US) 2018-05-02 EP disclosed