SCHEMBL31315441

SCHEMBL31315441

CNCc1cc(Oc2cc3ccccc3n2C(N)=O)ncn1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDR P35968 19/20 0.43
KCNH2 Q12809 1/20 0.40
PDGFRB P09619 6/20 0.36
LOXL2 Q9Y4K0 1/20 0.35

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
SCHEMBL31315406 0.80 KDR (0.44) KDRPDGFRB
SCHEMBL14480440 0.76 KDR (0.33) KDRKCNH2PDGFRBLOXL2
SCHEMBL5511085 0.72 NOD2 (0.44) KDRPDGFRB
SCHEMBL18726221 0.69 PLA2G10 (0.31)
SCHEMBL2728296 0.67 KDR (0.67) KDRKCNH2
SCHEMBL5513258 0.67 PARP10 (0.43) KDRPDGFRB
SCHEMBL2706646 0.67 KDR (0.53) KDRKCNH2PDGFRB
SCHEMBL18755913 0.65 KDR (0.57) KDRKCNH2
SCHEMBL2795844 0.64 KDR (0.41) KDRKCNH2LOXL2
SCHEMBL2796677 0.64 KDR (0.45) KDRKCNH2

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-119185569-A Sustained release delivery system comprising a traceless linker 诺华股份有限公司 2024-12-27 CN disclosed