SCHEMBL4488401

SCHEMBL4488401

O=C(Cl)c1c(Cl)cccc1Cl.O=C(O)c1n[nH]cc1NC(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK14 O94921 9/20 0.48
▸ CCNY Q8ND76 9/20 0.48
▸ KMT2A Q03164 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ JAK2 O60674 2/20 0.43
▸ JAK1 P23458 2/20 0.43
▸ TYK2 P29597 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ POLB P06746 1/20 0.41
▸ SLC16A3 O15427 1/20 0.41
▸ CDK5 Q00535 3/20 0.40
▸ CDK4 P11802 2/20 0.40
▸ CDK2 P24941 2/20 0.40
▸ CCNT1 O60563 2/20 0.40
▸ CDK9 P50750 2/20 0.40
▸ CDK5R1 Q15078 2/20 0.40
▸ CASK O14936 1/20 0.40
▸ CDKL5 O76039 1/20 0.40
▸ CCNB2 O95067 1/20 0.40

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
SCHEMBL954955 0.95 KMT2A (0.51) CDK14CCNYKMT2AMEN1JAK2
SCHEMBL8260751 0.89 CDK14 (0.51) CDK14CCNYKMT2AMEN1ALDH1A1
SCHEMBL8219606 0.86 TYK2 (0.52) CDK14CCNYKMT2AMEN1TYK2
SCHEMBL1645592 0.86 JAK2 (0.52) CDK14CCNYKMT2AMEN1JAK2
SCHEMBL5007605 0.84 CDK14 (0.46) CDK14CCNYKMT2AMEN1ALDH1A1
SCHEMBL8261624 0.83 CDK14 (0.50) CDK14CCNYKMT2AMEN1JAK2
SCHEMBL5006782 0.83 TTR (0.47) CDK14CCNYKMT2AMEN1ALDH1A1
SCHEMBL12288164 0.83 CDK14 (0.53) CDK14CCNYKMT2AMEN1JAK2
SCHEMBL8261342 0.82 CDK14 (0.46) CDK14CCNYKMT2AMEN1JAK2
SCHEMBL29035529 0.82 CDK14 (0.51) CDK14CCNYKMT2AMEN1JAK2

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
EP-2046327-A1 MEDICAL USE OF CYCLIN DEPENDENT KINASES INHIBITORS Astex Therapeutics Limited (GB) 2009-04-15 — — EP disclosed
WO-2008009954-A1 MEDICAL USE OF CYCLIN DEPENDENT KINASES INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2008-01-24 — — WO disclosed
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