SCHEMBL26101411

SCHEMBL26101411

COc1cc2ncnc(-c3ccc(CC(N)=O)cc3)c2cc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP1 P22413 2/20 0.47
▸ EGFR P00533 2/20 0.47
▸ KIT P10721 5/20 0.46
▸ PDK1 Q15118 2/20 0.45
▸ KDM1A O60341 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ PDK2 Q15119 1/20 0.40
▸ PDK3 Q15120 1/20 0.40
▸ PDK4 Q16654 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ BRAF P15056 3/20 0.40
▸ RAF1 P04049 2/20 0.39
▸ RET P07949 1/20 0.39
▸ KIF5B P33176 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ CAMKK1 Q8N5S9 1/20 0.39
▸ CAMKK2 Q96RR4 1/20 0.39

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
SCHEMBL26101616 0.84 ENPP1 (0.45) ENPP1EGFRKITPDK1PDK2
SCHEMBL26102256 0.81 PDGFRB (0.51) EGFRKITBRAFRAF1KDR
SCHEMBL4727998 0.79 EGFR (0.58) EGFRKITBRAFRAF1RET
SCHEMBL26098297 0.79 EGFR (0.51) ENPP1EGFRKITRAF1KDR
SCHEMBL26100098 0.78 EGFR (0.56) EGFRKITHTTRETKIF5B
SCHEMBL26101960 0.78 KDR (0.54) EGFRKITRETKIF5BKDR
SCHEMBL26101620 0.76 KIT (0.46) ENPP1EGFRKITPDK1PDK2
SCHEMBL5569427 0.76 KIT (0.58) ENPP1EGFRKITKDR
SCHEMBL22164766 0.75 KIT (0.57) ENPP1EGFRKITPDK1ALDH1A1
SCHEMBL30393934 0.74 HSD17B2 (0.53) ENPP1EGFRKITALDH1A1KDR

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
WO-2023075529-A1 QUINAZOLINE DERIVATIVE COMPOUND AND USE THEREOF 보로노이바이오 주식회사 2023-05-04 — — WO claimed
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