SCHEMBL29859598

SCHEMBL29859598

COc1cc(Nc2ncc3c(n2)N2CCN=C2N(c2c(Cl)cccc2Cl)C3=O)cc(Cl)c1N1CCC(N(C)C)CC1

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ WEE1 P30291 11/20 0.75
▸ ALK Q9UM73 5/20 0.41
▸ EGFR P00533 5/20 0.41
▸ AURKA O14965 1/20 0.40
▸ INSR P06213 1/20 0.40
▸ IGF1R P08069 1/20 0.40
▸ ROS1 P08922 1/20 0.40
▸ EML4 Q9HC35 1/20 0.40
▸ KCNH2 Q12809 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
SCHEMBL21373282 1.00 WEE1 (0.75) WEE1ALKEGFRAURKAINSR
SCHEMBL21373371 0.94 WEE1 (0.82) WEE1
SCHEMBL21373403 0.91 WEE1 (0.61) WEE1EGFRKCNH2
SCHEMBL29506521 0.91 WEE1 (0.61) WEE1EGFRKCNH2
SCHEMBL21373428 0.88 WEE1 (0.76) WEE1EGFR
SCHEMBL31556915 0.88 WEE1 (0.76) WEE1EGFR
SCHEMBL21373294 0.86 WEE1 (0.75) WEE1
SCHEMBL21373387 0.86 WEE1 (1.00) WEE1EGFR
SCHEMBL21373448 0.86 WEE1 (0.61) WEE1ALKEGFRKCNH2
SCHEMBL29506582 0.86 WEE1 (0.61) WEE1ALKEGFRKCNH2

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-2022188802-A1 USE OF WEE1 KINASE INHIBITORS IN THE TREATMENT OF CANCER IMPACT THERAPEUTICS (SHANGHAI) , INC (CN) 2022-09-15 — — WO claimed
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