SCHEMBL28197945

SCHEMBL28197945

Oc1cc2cnccc2nc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.42
KDM4E B2RXH2 5/20 0.40
MAPKAPK2 P49137 1/20 0.40
EGFR P00533 2/20 0.39
PDGFRB P09619 2/20 0.39
PDGFRA P16234 2/20 0.39
ERN1 O75460 1/20 0.35
CSNK1D P48730 1/20 0.35
CSNK1E P49674 1/20 0.35
CLK1 P49759 1/20 0.35
DYRK1A Q13627 1/20 0.35
IMPDH2 P12268 1/20 0.34
ALDH1A1 P00352 3/20 0.34
GLA P06280 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
HPGD P15428 2/20 0.33
MAPT P10636 1/20 0.33
KDM4A O75164 1/20 0.33
KDM5C P41229 1/20 0.33
KDM4D Q6B0I6 1/20 0.33

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
SCHEMBL28149552 0.85 DAO (0.42) DAOKDM4EMAPKAPK2EGFRPDGFRB
SCHEMBL5598552 0.80 GAA (0.39) KDM4EPDGFRBPDGFRACSNK1DCSNK1E
SCHEMBL3892453 0.77 KDM4E (0.58) DAOKDM4EMAPKAPK2EGFRPDGFRB
SCHEMBL27784056 0.75 KEAP1 (0.46) KDM4EALDH1A1HPGDMAPTKDM4A
SCHEMBL255425 0.74 CLK1 (0.48) DAOKDM4EMAPKAPK2EGFRCSNK1D
SCHEMBL1067857 0.74 KDM4E (0.59) KDM4EEGFRALDH1A1GLAHPGD
SCHEMBL31544472 0.74 KDM4E (0.59) KDM4EEGFRALDH1A1GLAHPGD
SCHEMBL24868087 0.73 DAO (0.39) DAOKDM4EMAPKAPK2EGFRPDGFRB
SCHEMBL3894130 0.73 DAO (0.39) DAOKDM4EMAPKAPK2EGFRPDGFRB
SCHEMBL5262554 0.73 NCOA3 (0.45) KDM4ECLK1DYRK1AALDH1A1SMN1; SMN2

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
CN-107667108-A NAPHTHYRIDINE COMPOUNDS AS JAK KINASE INHIBITORS 施万生物制药研发IP有限责任公司 2018-02-06 CN disclosed