SCHEMBL29238331

SCHEMBL29238331

COc1cc2c(-c3ccc(NC(=O)Cc4ccc(C(F)(F)F)cc4)cc3)ncnc2cc1OC[C@@H]1CCCNC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 5/20 0.48
▸ ROCK2 O75116 1/20 0.45
▸ KDR P35968 2/20 0.44
▸ PDGFRB P09619 5/20 0.42
▸ FLT4 P35916 4/20 0.42
▸ BRAF P15056 2/20 0.42
▸ HDAC1 Q13547 1/20 0.41
▸ RAF1 P04049 1/20 0.41
▸ CSF1R P07333 3/20 0.41
▸ PDGFRA P16234 2/20 0.41
▸ AURKA O14965 1/20 0.41
▸ AURKB Q96GD4 1/20 0.41
▸ RET P07949 1/20 0.41
▸ DDR1 Q08345 1/20 0.41
▸ FLT3 P36888 3/20 0.41
▸ KCNH2 Q12809 1/20 0.40
▸ CACNA1C Q13936 1/20 0.40
▸ SCN5A Q14524 1/20 0.40
▸ EPHA2 P29317 1/20 0.40

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
SCHEMBL30393873 1.00 KIT (0.48) KITROCK2KDRPDGFRBFLT4
SCHEMBL29238234 1.00 KIT (0.48) KITROCK2KDRPDGFRBFLT4
SCHEMBL26535819 1.00 KIT (0.48) KITROCK2KDRPDGFRBFLT4
SCHEMBL30891762 1.00 KIT (0.48) KITROCK2KDRPDGFRBFLT4
SCHEMBL26100776 1.00 KIT (0.48) KITROCK2KDRPDGFRBFLT4
SCHEMBL30891761 1.00 KIT (0.48) KITROCK2KDRPDGFRBFLT4
SCHEMBL30891758 0.96 KIT (0.47) KITKDRPDGFRBFLT4BRAF
SCHEMBL26101744 0.96 KIT (0.47) KITKDRPDGFRBFLT4BRAF
SCHEMBL30891793 0.96 KIT (0.47) KITKDRPDGFRBFLT4BRAF
SCHEMBL26099909 0.96 KIT (0.47) KITKDRPDGFRBFLT4BRAF

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-118201909-A Quinazoline derivative compound and use thereof 株式会社沃若诺伊 2024-06-14 — — CN claimed
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