SCHEMBL16730841

SCHEMBL16730841

CCc1cccc(-c2nn3c(c2I)CN(C(=O)OC(C)(C)C)CC3)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CSNK1E P49674 15/20 0.44
▸ CSNK1D P48730 11/20 0.44
▸ USP30 Q70CQ3 1/20 0.42
▸ CKS1B P61024 1/20 0.40
▸ SKP1 P63208 1/20 0.40
▸ SKP2 Q13309 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ SMN1; SMN2 Q16637 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
SCHEMBL16711190 0.86 CSNK1E (0.55) CSNK1ECSNK1D
SCHEMBL16711450 0.80 CSNK1E (0.52) CSNK1ECSNK1D
SCHEMBL26645223 0.79 ALDH1A1 (0.48) CSNK1EALDH1A1LMNASMN1; SMN2
SCHEMBL26645364 0.79 CSNK1E (0.45) CSNK1ECSNK1DCYP3A4
SCHEMBL30622855 0.79 CSNK1E (0.42) CSNK1ECSNK1DUSP30
SCHEMBL26645056 0.79 CSNK1E (0.42) CSNK1ECSNK1DUSP30
SCHEMBL16730688 0.79 CSNK1E (0.63) CSNK1ECSNK1D
SCHEMBL30623018 0.78 CSNK1E (0.44) CSNK1ECSNK1D
SCHEMBL30622957 0.78 SUV39H2 (0.44) CSNK1EALDH1A1
SCHEMBL26645586 0.78 CSNK1E (0.44) CSNK1ECSNK1D

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-2015073763-A1 SUBSTITUTED 4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-05-21 — — WO disclosed
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