SCHEMBL28430853

SCHEMBL28430853

COC(=O)c1ccccc1Oc1ccnc2cc(OC3CCN(C(C)=O)CC3)c(OC)cc12

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 5/20 0.55
▸ TGFBR1 P36897 5/20 0.55
▸ EGFR P00533 8/20 0.50
▸ ERBB2 P04626 2/20 0.50
▸ KRAS P01116 1/20 0.50
▸ SOS1 Q07889 1/20 0.50
▸ MET P08581 4/20 0.47
▸ MST1R Q04912 1/20 0.47
▸ KDR P35968 4/20 0.46
▸ AURKA O14965 3/20 0.46
▸ LCK P06239 3/20 0.46
▸ TEK Q02763 3/20 0.46
▸ ABL1 P00519 1/20 0.46
▸ LYN P07948 1/20 0.46
▸ FGR P09769 1/20 0.46
▸ AURKB Q96GD4 1/20 0.46
▸ PDGFRA P16234 1/20 0.46

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
SCHEMBL28426786 0.86 SRC (0.57) SRCTGFBR1KRASSOS1MET
SCHEMBL28427821 0.81 MET (0.48) SRCKRASSOS1METMST1R
SCHEMBL30646048 0.81 PDGFRA (0.50) SRCKRASSOS1METMST1R
SCHEMBL28428914 0.80 PDGFRA (0.49) SRCKRASSOS1METMST1R
SCHEMBL28420947 0.79 KDR (0.51) SRCEGFRERBB2KRASSOS1
SCHEMBL25130670 0.79 KRAS (0.53) EGFRERBB2KRASSOS1MET
SCHEMBL30292605 0.79 KRAS (0.53) EGFRERBB2KRASSOS1MET
SCHEMBL30646019 0.78 PDGFRA (0.62) SRCKRASSOS1METMST1R
SCHEMBL29111053 0.78 PDGFRA (0.62) SRCKRASSOS1METMST1R
SCHEMBL28423297 0.78 PDGFRA (0.52) SRCMETMST1RKDRAURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111253385-B Heterocyclic compound, preparation method and application 遵义医科大学珠海校区 2023-11-24 — — CN disclosed
CN-111253385-A Heterocyclic compound, preparation method and application 遵义医科大学珠海校区 2020-06-09 — — CN disclosed
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