SCHEMBL18509121

SCHEMBL18509121

CCc1cn(S)c2nccc(-c3ccccc3)c12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 6/20 0.43
▸ CDK2 P24941 6/20 0.43
▸ CHEK1 O14757 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ CDK1 P06493 1/20 0.38
▸ CDK4 P11802 1/20 0.38
▸ CCNB1 P14635 1/20 0.38
▸ CCND1 P24385 1/20 0.38
▸ CDK7 P50613 1/20 0.38
▸ CCNH P51946 1/20 0.38
▸ TSHR P16473 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.35
▸ PIK3CA P42336 3/20 0.35
▸ MTOR P42345 3/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ GPR119 Q8TDV5 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
SCHEMBL13168778 0.84 MTOR (0.45) CCNA2CDK2CHEK1MAPTGAA
SCHEMBL13131376 0.75 CCNA2 (0.42) CCNA2CDK2MAPTGAACDK1
SCHEMBL30135101 0.71 HTR6 (0.43) CDK2MAPT
SCHEMBL18509150 0.69 ELANE (0.40) —
SCHEMBL18509010 0.67 CCNA2 (0.47) CCNA2CDK2CHEK1MAPTGAA
SCHEMBL14462808 0.66 CCNA2 (0.46) CCNA2CDK2CHEK1MAPTGAA
SCHEMBL14927060 0.63 CCNC (0.51) —
Bromide SCHEMBL29018736 0.62 CCNC (0.50) —
SCHEMBL8596327 0.62 DHFR (0.49) CHEK1MAPTCDK7PIK3CAGSK3B
SCHEMBL25694338 0.62 USP7 (0.40) CHEK1MAPTCDK7PIK3CAGSK3B

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-2168952-B1 MORPHOLINE DERIVATIVES AS RENIN INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2017-02-15 — — EP disclosed
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