SCHEMBL5138885

SCHEMBL5138885

N#CCc1nc(NCCc2cccc(Cl)c2)ncc1-c1nc2ccccc2s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
MAPK10 P53779 1/20 0.41
MAPT P10636 4/20 0.40
ALDH1A1 P00352 3/20 0.40
CYP1A2 P05177 3/20 0.40
CYP3A4 P08684 3/20 0.40
CYP2C9 P11712 3/20 0.40
CYP2C19 P33261 3/20 0.40
LMNA P02545 1/20 0.40
CYP2D6 P10635 1/20 0.40
LCK P06239 1/20 0.38

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
SCHEMBL5110395 0.89 ALDH1A1 (0.46) MAPK8MAPK9MAPK10MAPTALDH1A1
SCHEMBL5100115 0.89 PTGS1 (0.41) MAPK8MAPK9MAPK10MAPTLMNA
SCHEMBL17709604 0.85 MAPK10 (0.56) MAPK8MAPK9MAPK10ALDH1A1CYP3A4
SCHEMBL5096401 0.84 ILK (0.48) MAPK8MAPK9MAPK10MAPTALDH1A1
SCHEMBL5103181 0.84 ALDH1A1 (0.43) MAPK8MAPK9MAPK10MAPTALDH1A1
SCHEMBL5596244 0.84 CDK1 (0.43) MAPK8MAPK9MAPK10MAPTALDH1A1
SCHEMBL5103578 0.82 SMN1; SMN2 (0.46) MAPTALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL5596497 0.82 KDM4E (0.42) MAPK9MAPK10MAPTALDH1A1RAB9A
SCHEMBL5596896 0.78 CSNK1D (0.45) CSNK1DHDAC3HDAC1HDAC2HDAC6
SCHEMBL5596747 0.77 CDK1 (0.35) MAPK8MAPK9MAPK10MAPTALDH1A1

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
US-7470686-B2 Method of inhibiting the expression and/or the activity of JNK LABORATOIRES SERONO SA (CH) 2008-12-30 US claimed