SCHEMBL4703475

SCHEMBL4703475

CCN(CC)CCOc1cccc(-c2cc(C(=O)NC3CCCN(OC(=O)OC(C)(C)C)C3)c(NC(=O)Nc3cnccn3)s2)c1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 14/20 0.53
▸ CDK2AP1 O14519 8/20 0.53
▸ FAAH O00519 1/20 0.36
▸ HTR7 P34969 2/20 0.34
▸ SYK P43405 1/20 0.34
▸ USP30 Q70CQ3 1/20 0.33

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
SCHEMBL4706425 0.95 CHEK1 (0.51) CHEK1CDK2AP1
SCHEMBL4211957 0.91 CHEK1 (0.54) CHEK1CDK2AP1FAAHUSP30
SCHEMBL4706488 0.88 CHEK1 (0.56) CHEK1CDK2AP1FAAHHTR7SYK
SCHEMBL4706268 0.88 CHEK1 (0.68) CHEK1CDK2AP1
Trifluoroacetic Acid SCHEMBL4223931 0.87 CHEK1 (0.51) CHEK1CDK2AP1FAAHUSP30
SCHEMBL4213212 0.86 CHEK1 (0.52) CHEK1CDK2AP1USP30
SCHEMBL4220643 0.83 CHEK1 (0.75) CHEK1CDK2AP1
SCHEMBL4224436 0.83 CHEK1 (0.64) CHEK1CDK2AP1FAAH
Hydrochloric Acid SCHEMBL4212812 0.83 CHEK1 (0.74) CHEK1CDK2AP1
SCHEMBL4702760 0.82 CHEK1 (0.66) CHEK1CDK2AP1

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
EP-1660474-B1 SUBSTITUTED THIOPHENES AND USES THEREOF ASTRAZENECA AB (SE) 2008-10-29 — — EP claimed
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