SCHEMBL5598552

SCHEMBL5598552

Clc1cc2cnccc2nc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
CSNK1D P48730 1/20 0.37
CSNK1E P49674 1/20 0.37
CLK1 P49759 1/20 0.37
DYRK1A Q13627 1/20 0.37
IMPDH2 P12268 1/20 0.36
NPC1 O15118 2/20 0.35
ALDH1A1 P00352 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
HIPK2 Q9H2X6 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
RHEB Q15382 1/20 0.33
KMT2A Q03164 1/20 0.32

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
SCHEMBL28197945 0.80 DAO (0.42) GAACSNK1DCSNK1ECLK1DYRK1A
SCHEMBL255425 0.77 CLK1 (0.48) CSNK1DCSNK1ECLK1DYRK1AIMPDH2
SCHEMBL5262554 0.76 NCOA3 (0.45) GAACLK1DYRK1AALDH1A1SMN1; SMN2
SCHEMBL28855734 0.76 GAA (0.33) GAACSNK1DCSNK1ECLK1DYRK1A
SCHEMBL27784056 0.74 KEAP1 (0.46) ALDH1A1SMN1; SMN2KDM4EHPGDTDP1
SCHEMBL28156867 0.74 TNF (0.44) NPC1ALDH1A1KDM4EPKMHPGD
SCHEMBL5096070 0.74 ALDH1A1 (0.40) CLK1DYRK1AALDH1A1SMN1; SMN2KDM4E
SCHEMBL1018440 0.73 CLK1 (0.46) GAACSNK1DCSNK1ECLK1DYRK1A
SCHEMBL2300291 0.73 TDP1 (0.52) GAAIMPDH2NPC1ALDH1A1RAB9A
SCHEMBL29757578 0.73 TDP1 (0.52) GAAIMPDH2NPC1ALDH1A1RAB9A

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
WO-2007113565-A1 NAPHTHYRIDINE DERIVATIVES AS ANTI-CANCER AGENTS ASTRAZENECA AB (SE) 2007-10-11 WO disclosed