SCHEMBL11501681

SCHEMBL11501681

CN(CCCNC(N)=NC(=O)NC(C)(C)CC(C)(C)C)CCCNC(N)=NC(=O)NC(C)(C)CC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 1/20 0.34
▸ DAPK3 O43293 1/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ CHEK2 O96017 1/20 0.34
▸ PRKCG P05129 1/20 0.34
▸ CDK1 P06493 1/20 0.34
▸ PIM1 P11309 1/20 0.34
▸ RPS6KB1 P23443 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ AKT1 P31749 1/20 0.34
▸ AKT2 P31751 1/20 0.34
▸ MAPKAPK2 P49137 1/20 0.34
▸ RPS6KA3 P51812 1/20 0.34
▸ NEK2 P51955 1/20 0.34
▸ LIMK1 P53667 1/20 0.34
▸ CDK5 Q00535 1/20 0.34
▸ PRKCZ Q05513 1/20 0.34
▸ PRKCD Q05655 1/20 0.34
▸ PAK1 Q13153 1/20 0.34
▸ STK3 Q13188 1/20 0.34

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
SCHEMBL11468030 0.79 LMNA (0.40) KDM4E
SCHEMBL11501703 0.73 DNM1 (0.44) SIGMAR1DNM1
SCHEMBL11501583 0.68 EPHX2 (0.47) —
SCHEMBL11501930 0.68 TMEM97 (0.46) CHEK1DAPK3ROCK2CHEK2PRKCG
SCHEMBL11501586 0.68 DNM1 (0.36) CHEK1DAPK3ROCK2CHEK2PRKCG
SCHEMBL11501680 0.67 POLB (0.32) POLB
SCHEMBL7763881 0.67 CHEK1 (0.42) CHEK1DAPK3ROCK2CHEK2PRKCG
SCHEMBL24110874 0.64 DNM1 (0.40) KDM4EPOLBDNM1
SCHEMBL16316408 0.64 POLB (0.47) KDM4EPOLBTMEM97SIGMAR1DNM1
SCHEMBL12341227 0.63 GRIN2D (0.35) KDM4ESIGMAR1

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
US-4166827-A DENTAL PLAQUE COOPER LABORATORIES, INC. (US) 1979-09-04 — — US claimed
US-4166827-A DENTAL PLAQUE COOPER LABORATORIES, INC. (US) 1979-09-04 — — US disclosed
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