SCHEMBL8262605

SCHEMBL8262605

O=C(Nc1ccc(N2CCCCC2)cc1)c1n[nH]cc1NC(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 9/20 0.55
▸ MAPT P10636 6/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ MAPK1 P28482 2/20 0.55
▸ TDP1 Q9NUW8 2/20 0.55
▸ LMNA P02545 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ CDK14 O94921 7/20 0.54
▸ CCNY Q8ND76 7/20 0.54
▸ NPC1 O15118 6/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ GFER P55789 2/20 0.53
▸ GAA P10253 1/20 0.51
▸ PKM P14618 2/20 0.49
▸ HTT P42858 1/20 0.49
▸ KLF5 Q13887 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.48
▸ LCK P06239 1/20 0.48
▸ MAPK14 Q16539 1/20 0.48

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
SCHEMBL13993630 0.91 CDK14 (0.53) RAB9AMAPTSMN1; SMN2MAPK1LMNA
SCHEMBL13993628 0.90 LCK (0.61) RAB9AMAPTSMN1; SMN2CDK14CCNY
SCHEMBL955570 0.82 CDK14 (0.46) MAPTCDK14CCNY
Hydrochloric Acid SCHEMBL953649 0.81 CDK14 (0.46) MAPTCDK14CCNY
SCHEMBL8212885 0.80 TYK2 (0.68) CDK14CCNYMEN1KMT2AHTT
SCHEMBL23271165 0.79 CDK14 (0.56) CDK14CCNY
SCHEMBL13993686 0.79 RAB9A (0.61) RAB9AMAPTSMN1; SMN2LMNACDK14
SCHEMBL23271061 0.79 CDK14 (0.65) CDK14CCNY
SCHEMBL13993631 0.79 RAB9A (0.56) RAB9AMAPTSMN1; SMN2MAPK1LMNA
SCHEMBL13993629 0.78 NPC1 (0.49) RAB9ASMN1; SMN2NPC1LCKMAPK14

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-2006077414-A1 PYRAZOLE DERIVATIVES FOR THE INHIBITION OF CDK' S AND GSK' S ASTEX THERAPEUTICS LIMITED (GB) 2006-07-27 — — WO disclosed
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