SCHEMBL29631643

SCHEMBL29631643

O=[N+]([O-])c1ccc(Oc2ccnc3[nH]ccc23)cc1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TTBK1 Q5TCY1 2/20 0.58
TTBK2 Q6IQ55 2/20 0.58
KDR P35968 2/20 0.48
PDGFRA P16234 1/20 0.48
MET P08581 11/20 0.47
BRAF P15056 1/20 0.47
MAPK14 Q16539 1/20 0.47
TNNI3K Q59H18 1/20 0.47
HSPB1 P04792 2/20 0.42
JAK3 P52333 1/20 0.41

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
SCHEMBL1893699 1.00 TTBK1 (0.58) TTBK1TTBK2KDRPDGFRAMET
SCHEMBL4364193 0.83 MET (0.45) TTBK1TTBK2KDRMETBRAF
SCHEMBL1895723 0.82 PDGFRA (0.47) TTBK1TTBK2KDRPDGFRAHSPB1
SCHEMBL30844464 0.81 KMT2A (0.52) TTBK1TTBK2MET
SCHEMBL4249568 0.81 MET (0.55) METHSPB1
SCHEMBL29631514 0.81 MET (0.55) METHSPB1
SCHEMBL3484554 0.81 KMT2A (0.52) TTBK1TTBK2MET
SCHEMBL4361630 0.80 MET (0.45) TTBK1TTBK2KDRMETBRAF
SCHEMBL30310261 0.80 PDGFRA (0.47) TTBK1TTBK2KDRPDGFRAHSPB1
SCHEMBL26084095 0.80 PDGFRA (0.47) TTBK1TTBK2KDRPDGFRAHSPB1

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-110520416-B Polysubstituted pyridone derivative, preparation method and medical application thereof 北京越之康泰生物医药科技有限公司 2022-06-03 CN disclosed