SCHEMBL9098370

SCHEMBL9098370

c1ccc2nc3c(cc2c1)CCCN3

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GFER P55789 1/20 0.43
MAPT P10636 3/20 0.42
ALDH1A1 P00352 2/20 0.42
GLA P06280 2/20 0.42
HPGD P15428 2/20 0.42
ACHE P22303 1/20 0.42
MAPK1 P28482 2/20 0.40
CASP1 P29466 1/20 0.40
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
PKM P14618 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL14852740 0.89 MAPT (0.45) RAB9AMEN1KMT2AGFERMAPT
SCHEMBL4119102 0.80 NNMT (0.40) RAB9AMEN1KMT2AGFERMAPT
SCHEMBL22743534 0.79 ALDH1A1 (0.42) RAB9AMEN1KMT2AGFERALDH1A1
SCHEMBL22743004 0.79 BACE1 (0.39) RAB9AMEN1KMT2AGFERACHE
SCHEMBL22717228 0.78 NNMT (0.35) RAB9AMEN1KMT2AGFERMAPT
SCHEMBL30626361 0.76 KMT2A (0.41) RAB9AMEN1KMT2AMAPTALDH1A1
SCHEMBL22743872 0.75 UHRF1 (0.36) RAB9AMEN1KMT2AGFERITGB3
SCHEMBL21090747 0.75 GRM5 (0.51) RAB9AMEN1KMT2AGFERMAPT
SCHEMBL22742636 0.74 EHMT2 (0.33) RAB9AMEN1KMT2AGFERNNMT
SCHEMBL6307293 0.73 MEN1 (0.43) RAB9AMEN1KMT2AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108069961-B Method for preparing tetrahydrobenzo [ b ] [1,8] naphthyridine compound 中国科学院大连化学物理研究所 2020-04-21 CN claimed
US-5484921-A Process for preparing benzo[b]naphthyridines LABORATOIRE ROGER BELLON (FR) 1996-01-16 US claimed
CN-108069961-B Method for preparing tetrahydrobenzo [ b ] [1,8] naphthyridine compound 中国科学院大连化学物理研究所 2020-04-21 CN disclosed
CN-108069961-B Method for preparing tetrahydrobenzo [ b ] [1,8] naphthyridine compound 中国科学院大连化学物理研究所 2020-04-21 CN disclosed
CN-108069961-B Method for preparing tetrahydrobenzo [ b ] [1,8] naphthyridine compound 中国科学院大连化学物理研究所 2020-04-21 CN disclosed
US-5484921-A Process for preparing benzo[b]naphthyridines LABORATOIRE ROGER BELLON (FR) 1996-01-16 US disclosed
US-5442070-A Derivatives of fluoro-quinoline carboxylic-3-acid and preparation therefor LABORATOIRE ROGER BELLON (FR) 1995-08-15 US disclosed
EP-0538101-A1 Process for the preparation of benzo(b)naphthyridines LABORATOIRE ROGER BELLON (FR) 1993-04-21 EP disclosed