SCHEMBL26099640

SCHEMBL26099640

COc1cc2c(-c3ccc(CS(N)(=O)=O)cc3)ncnc2cc1OCCCN1CCN(C)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIT P10721 5/20 0.52
KDR P35968 11/20 0.51
AURKA O14965 8/20 0.51
TEK Q02763 8/20 0.51
AURKB Q96GD4 8/20 0.51
FLT4 P35916 8/20 0.51
PDGFRB P09619 6/20 0.51
EGFR P00533 10/20 0.51
ERBB2 P04626 5/20 0.51
RET P07949 1/20 0.50
KIF5B P33176 1/20 0.50
FGFR1 P11362 2/20 0.49
FLT1 P17948 2/20 0.49
EHMT2 Q96KQ7 1/20 0.49
EHMT1 Q9H9B1 1/20 0.49

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
SCHEMBL30891810 0.86 KDR (0.55) KITKDRAURKATEKAURKB
SCHEMBL26101967 0.86 KDR (0.55) KITKDRAURKATEKAURKB
SCHEMBL26101960 0.86 KDR (0.54) KITKDRAURKATEKAURKB
Hydrochloric Acid SCHEMBL30394719 0.85 KDR (0.56) KITKDRAURKATEKAURKB
Hydrochloric Acid SCHEMBL26101705 0.85 KDR (0.56) KITKDRAURKATEKAURKB
SCHEMBL26102545 0.85 EGFR (0.53) KITKDRAURKATEKAURKB
SCHEMBL26101506 0.84 KDR (0.53) KITKDRAURKATEKAURKB
SCHEMBL26103102 0.84 EGFR (0.57) KITKDRAURKATEKAURKB
SCHEMBL30394566 0.84 EGFR (0.57) KITKDRAURKATEKAURKB
SCHEMBL26099642 0.84 KIT (0.68) KITKDRAURKATEKAURKB

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