SCHEMBL5596244

SCHEMBL5596244

N#CCc1nc(NCCc2ccc(F)cc2)ncc1-c1nc2ccccc2s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.43
KDR P35968 1/20 0.43
MAPK10 P53779 2/20 0.41
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
CASP6 P55212 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
LMNA P02545 3/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
MAPT P10636 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
MGLL Q99685 1/20 0.39
ILK Q13418 2/20 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
SCHEMBL5103181 0.91 ALDH1A1 (0.43) CDK1KDRMAPK10MAPK8MAPK9
SCHEMBL5096401 0.91 ILK (0.48) CDK1KDRMAPK10MAPK8MAPK9
SCHEMBL5100115 0.90 PTGS1 (0.41) CDK1KDRMAPK10MAPK8MAPK9
SCHEMBL5103578 0.88 SMN1; SMN2 (0.46) CDK1KDRNPC1RAB9ALMNA
SCHEMBL5110395 0.86 ALDH1A1 (0.46) CDK1KDRMAPK10MAPK8MAPK9
SCHEMBL17709604 0.86 MAPK10 (0.56) CDK1KDRMAPK10MAPK8MAPK9
SCHEMBL5138885 0.84 CSNK1D (0.41) CDK1KDRMAPK10MAPK8MAPK9
SCHEMBL5596497 0.84 KDM4E (0.42) CDK1KDRMAPK10MAPK9NPC1
SCHEMBL5596747 0.81 CDK1 (0.35) CDK1KDRMAPK10MAPK8MAPK9
SCHEMBL5103679 0.76 IRAK4 (0.46) KDRMGLL

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-1696909-B1 BENZOTHIAZOLE DERIVATIVES FOR THE TREATMENT OF DIABETES SERONO LAB (CH) 2007-11-14 EP claimed