SCHEMBL3469223

SCHEMBL3469223

COC(=O)c1cc(-c2c[nH]nc2C2CCNCC2)cnc1N

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BMPR1B O00238 2/20 0.40
BMPR1A P36894 2/20 0.40
TGFBR1 P36897 2/20 0.40
ACVRL1 P37023 2/20 0.40
ACVR1 Q04771 2/20 0.40
HTR2C P28335 1/20 0.40
PLAT P00750 1/20 0.40
PRMT5 O14744 1/20 0.38
MAP4K3 Q8IVH8 1/20 0.38
MERTK Q12866 11/20 0.37
AXL P30530 9/20 0.37
MET P08581 1/20 0.37
TYRO3 Q06418 1/20 0.37
IKBKE Q14164 1/20 0.36
TBK1 Q9UHD2 1/20 0.36
LRRK2 Q5S007 1/20 0.36
CHEK1 O14757 1/20 0.35
CHEK2 O96017 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
SCHEMBL2497147 0.88 BMPR1B (0.40) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL3469183 0.83 HTT (0.45)
SCHEMBL3954321 0.82 TYRO3 (0.42) HTR2CMERTKAXLTYRO3
SCHEMBL3469349 0.77 BMPR1B (0.39) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
Hydrochloric Acid SCHEMBL3469292 0.76 BMPR1B (0.38) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL3469290 0.76 BMPR1B (0.38) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL3469280 0.72 PLAT (0.41) TGFBR1ACVR1PLATMAP4K3MET
SCHEMBL2387035 0.72 MAP4K3 (0.68) MAP4K3MERTKAXLMETTYRO3
Hydrochloric Acid SCHEMBL3788144 0.71 KDM4E (0.41) TGFBR1ACVR1METLRRK2
Hydrochloric Acid SCHEMBL3792299 0.71 LRRK2 (0.45) TGFBR1ACVR1MAP4K3TYRO3LRRK2

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