SCHEMBL3469290

SCHEMBL3469290

CN1CCC(c2n[nH]cc2-c2cnc(N)c(C(=O)Cl)c2)CC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BMPR1B O00238 5/20 0.38
BMPR1A P36894 5/20 0.38
ACVRL1 P37023 5/20 0.38
ACVR1 Q04771 5/20 0.38
PIK3C3 Q8NEB9 2/20 0.38
TGFBR1 P36897 4/20 0.37
AXL P30530 9/20 0.37
MERTK Q12866 8/20 0.37
LRRK2 Q5S007 2/20 0.36
FLT3 P36888 1/20 0.35
TYRO3 Q06418 1/20 0.35
PARP1 P09874 1/20 0.35
PRKAB2 O43741 1/20 0.35
PRKAG1 P54619 1/20 0.35
PRKAA2 P54646 1/20 0.35
PRKAA1 Q13131 1/20 0.35
PRKAG3 Q9UGI9 1/20 0.35
PRKAG2 Q9UGJ0 1/20 0.35
PRKAB1 Q9Y478 1/20 0.35

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 0.91 BMPR1B (0.39) BMPR1BBMPR1AACVRL1ACVR1PIK3C3
Hydrochloric Acid SCHEMBL3469292 0.90 BMPR1B (0.38) BMPR1BBMPR1AACVRL1ACVR1PIK3C3
SCHEMBL2497147 0.89 BMPR1B (0.40) BMPR1BBMPR1AACVRL1ACVR1PIK3C3
SCHEMBL3469125 0.79 CHRNA7 (0.43) BMPR1BBMPR1AACVRL1ACVR1AXL
SCHEMBL3469184 0.79 IKBKE (0.41) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL3469241 0.78 IKBKE (0.40) BMPR1BBMPR1AACVRL1ACVR1PIK3C3
SCHEMBL3469171 0.78 CHRNA7 (0.40) BMPR1BBMPR1AACVRL1ACVR1PIK3C3
SCHEMBL3469183 0.76 HTT (0.45)
SCHEMBL3469223 0.76 BMPR1B (0.40) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL3952939 0.76 ATR (0.40) PARP1PRKAB2PRKAG1PRKAA2PRKAA1

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-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