SCHEMBL19908274

SCHEMBL19908274

CN1CCN(C(=O)c2ccc(-c3cnc4c(c3)CCCN4)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
NNMT P40261 1/20 0.51
KCNH2 Q12809 3/20 0.51
BMPR1B O00238 2/20 0.49
BMPR1A P36894 2/20 0.49
ACVRL1 P37023 2/20 0.49
ACVR1 Q04771 2/20 0.49
TGFBR1 P36897 1/20 0.49
RIPK1 Q13546 1/20 0.48
MAP3K11 Q16584 1/20 0.47
MKNK1 Q9BUB5 7/20 0.47
MKNK2 Q9HBH9 7/20 0.47
CYP3A4 P08684 1/20 0.47
HPGD P15428 1/20 0.46
PIK3C3 Q8NEB9 1/20 0.46
CHKA P35790 1/20 0.45
CYP11B2 P19099 1/20 0.45

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
SCHEMBL8389254 0.86 PIK3C3 (0.52) NNMTKCNH2TGFBR1RIPK1MKNK1
SCHEMBL8387765 0.81 CYP11B2 (0.55) KCNH2BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL1602736 0.80 BMPR1B (0.51) POLBKCNH2BMPR1BBMPR1AACVRL1
SCHEMBL1601053 0.78 POLB (0.55) POLBKCNH2BMPR1BBMPR1AACVRL1
SCHEMBL22226400 0.76 NNMT (0.64) POLBNNMTHPGDCYP11B2
SCHEMBL1601082 0.76 ALK (0.63) POLBKCNH2ACVR1RIPK1MKNK1
SCHEMBL20449050 0.74 POLB (0.86) POLBHPGDCHKA
SCHEMBL1601057 0.74 POLB (0.47) POLBKCNH2BMPR1BBMPR1AACVRL1
SCHEMBL1601049 0.74 ALK (0.47) POLBKCNH2BMPR1BBMPR1AACVRL1
SCHEMBL24319038 0.73 KCNH2 (0.67) POLBKCNH2BMPR1BBMPR1AACVRL1

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-2091951-B1 PYRIDO[2,3-B]PYRAZINE AND [1,8]-NAPHTHYRIDINE DERIVATIVES AS ALK AND C-MET INHIBITORS CEPHALON INC (US) 2018-02-28 EP disclosed