SCHEMBL30988686

SCHEMBL30988686

COc1cc(OC2CCN(C)CC2)c2c(N)ncnc2c1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SRC P12931 12/20 0.60
EGFR P00533 7/20 0.57
KDR P35968 6/20 0.55
ERBB2 P04626 1/20 0.43
KCNH2 Q12809 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
SCHEMBL3282184 0.86 SRC (0.66) SRCEGFRKDRERBB2
SCHEMBL30988726 0.82 ERBB2 (0.53) SRCEGFRKDRERBB2
SCHEMBL3204452 0.78 SRC (0.84) SRCEGFRKDRERBB2
SCHEMBL30227057 0.77 SRC (0.60) SRCEGFRKDR
SCHEMBL5406753 0.77 EGFR (0.73) SRCEGFRKDRERBB2KCNH2
SCHEMBL3275698 0.77 SRC (0.51) SRCEGFRKDR
SCHEMBL3194243 0.76 SRC (0.81) SRCEGFRKDRERBB2
SCHEMBL30988727 0.76 SRC (0.58) SRCEGFRKDRERBB2KCNH2
Hydrochloric Acid SCHEMBL3275787 0.76 SRC (0.74) SRCEGFRKDRERBB2
SCHEMBL4034788 0.76 SRC (0.61) SRCEGFRKDRERBB2

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-118255772-A Quinazoline derivatives as antitumor agents 苏州赞荣医药科技有限公司 2024-06-28 CN claimed
CN-118255772-A Quinazoline derivatives as antitumor agents 苏州赞荣医药科技有限公司 2024-06-28 CN disclosed