SCHEMBL26100970

SCHEMBL26100970

COc1ccc(CN2CC(Oc3cc4ncnc(-c5ccc(C(C(N)=O)c6ccc(C(F)(F)F)cc6)cc5)c4cc3OC)C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 7/20 0.45
▸ ERBB2 P04626 3/20 0.45
▸ KDR P35968 4/20 0.41
▸ KIT P10721 2/20 0.40
▸ MAPK7 Q13164 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ FLT1 P17948 2/20 0.38
▸ FLT4 P35916 2/20 0.38
▸ ACHE P22303 1/20 0.37
▸ BRAF P15056 1/20 0.37

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
SCHEMBL26103317 0.90 EGFR (0.48) EGFRERBB2KDRKITMAPK7
SCHEMBL26101018 0.88 EGFR (0.47) EGFRERBB2KDRKITMAPK7
SCHEMBL30393114 0.86 EGFR (0.50) EGFRERBB2KDRKITFLT1
SCHEMBL26098334 0.86 EGFR (0.50) EGFRERBB2KDRKITFLT1
SCHEMBL26103141 0.86 EGFR (0.49) EGFRERBB2KITMAPK7BRAF
SCHEMBL30393198 0.84 EGFR (0.50) EGFRERBB2KITMAPK7
SCHEMBL26099028 0.84 EGFR (0.50) EGFRERBB2KITMAPK7
SCHEMBL26102740 0.84 EGFR (0.45) EGFRERBB2KDRKITMAPK7
SCHEMBL26135306 0.84 EGFR (0.45) EGFRERBB2KDRKITMAPK7
SCHEMBL26101576 0.84 EGFR (0.45) EGFRERBB2KDRKITMAPK7

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
Send feedback