SCHEMBL2497147

SCHEMBL2497147

COC(=O)c1cc(-c2c[nH]nc2C2CCN(C)CC2)cnc1N

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BMPR1B O00238 4/20 0.40
BMPR1A P36894 4/20 0.40
ACVRL1 P37023 4/20 0.40
ACVR1 Q04771 4/20 0.40
PIK3C3 Q8NEB9 2/20 0.39
TGFBR1 P36897 3/20 0.38
IL2 P60568 1/20 0.37
MAP4K1 Q92918 1/20 0.37
MERTK Q12866 8/20 0.37
AXL P30530 7/20 0.37
LRRK2 Q5S007 2/20 0.36
CHEK1 O14757 2/20 0.36
CHEK2 O96017 1/20 0.36
CYP11B2 P19099 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
SCHEMBL3469349 0.90 BMPR1B (0.39) BMPR1BBMPR1AACVRL1ACVR1PIK3C3
Hydrochloric Acid SCHEMBL3469292 0.89 BMPR1B (0.38) BMPR1BBMPR1AACVRL1ACVR1PIK3C3
SCHEMBL3469290 0.89 BMPR1B (0.38) BMPR1BBMPR1AACVRL1ACVR1PIK3C3
SCHEMBL3469223 0.88 BMPR1B (0.40) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL3469183 0.87 HTT (0.45)
SCHEMBL3950236 0.82 ATR (0.40)
SCHEMBL3469184 0.82 IKBKE (0.41) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL3469241 0.81 IKBKE (0.40) BMPR1BBMPR1AACVRL1ACVR1PIK3C3
SCHEMBL3469125 0.80 CHRNA7 (0.43) BMPR1BBMPR1AACVRL1ACVR1MERTK
SCHEMBL3469171 0.79 CHRNA7 (0.40) BMPR1BBMPR1AACVRL1ACVR1PIK3C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2215085-B1 PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2011-09-07 EP disclosed
EP-2215085-A2 PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS AstraZeneca AB (SE) 2010-08-11 EP disclosed
WO-2009053737-A2 PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2009-04-30 WO disclosed