SCHEMBL28007367

SCHEMBL28007367

O=C(Cl)c1c(Br)ccnc1Cl

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 1/20 0.37
HIPK2 Q9H2X6 2/20 0.36
KDM4E B2RXH2 2/20 0.33
ASPH Q12797 1/20 0.32
KDM8 Q8N371 1/20 0.32
EGFR P00533 1/20 0.32
ATR Q13535 1/20 0.32
DAO P14920 1/20 0.32
KDM5A P29375 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
HTT P42858 1/20 0.31
NAPRT Q6XQN6 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL30411449 0.84 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2LMNAHIPK2KDM4E
SCHEMBL23971140 0.84 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2LMNAHIPK2KDM4E
SCHEMBL27471803 0.83 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2LMNAHIPK2KDM4E
SCHEMBL4793593 0.82 POLB (0.38) ALDH1A1SMN1; SMN2LMNAHIPK2KDM4E
SCHEMBL3223703 0.79 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2LMNADAOHTT
SCHEMBL31713579 0.79 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2LMNADAOHTT
SCHEMBL1563112 0.78 ATR (0.47) ALDH1A1LMNAKDM4EATRKDM4C
SCHEMBL30047616 0.76 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2LMNAKDM4EASPH
SCHEMBL12931889 0.76 HTT (0.39) ALDH1A1SMN1; SMN2LMNAHIPK2HTT
SCHEMBL10561174 0.76 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2LMNAEGFRNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104910148-B Aminotriazole(ATA) and pyridine and its as kinase inhibitor purposes 西格诺药品有限公司 2017-06-27 CN disclosed
CN-104910148-A Aminotriazolopyridines and use thereof as kinase inhibitors SIGNAL PHARM LLC 2015-09-16 CN disclosed
CN-102203093-B Aminotriazolopyridines and their use as kinase inhibitors SIGNAL PHARM LLC 2015-05-13 CN disclosed