SCHEMBL8515459

SCHEMBL8515459

CC(C)(C)c1cc(-c2ccnc(N3CCNCC3)n2)ccc1NC1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 15/20 0.46
PRKD2 Q9BZL6 8/20 0.46
ADRB1 P08588 2/20 0.43
PRKCA P17252 1/20 0.43
PRKCD Q05655 1/20 0.43
ROCK1 Q13464 1/20 0.41
DKK1 O94907 1/20 0.41
MYLK4 Q86YV6 1/20 0.40
STK17A Q9UEE5 1/20 0.40
KHK P50053 1/20 0.40
ROCK2 O75116 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
SCHEMBL8515830 0.85 PRKD1 (0.45) PRKD1PRKD2ADRB1DKK1MYLK4
SCHEMBL8510921 0.83 TBK1 (0.49) DKK1STK17A
SCHEMBL8515822 0.82 PRKD1 (0.46) PRKD1PRKD2ADRB1
SCHEMBL8511121 0.82 KMO (0.46) PRKD1PRKD2ADRB1DKK1MYLK4
Hydrochloric Acid SCHEMBL8533322 0.82 KMO (0.46) PRKD1PRKD2ADRB1DKK1MYLK4
SCHEMBL8512423 0.76 ADRB1 (0.42) ADRB1DKK1MYLK4STK17AROCK2
Hydrochloric Acid SCHEMBL8511182 0.75 ADRB1 (0.41) ADRB1DKK1MYLK4STK17AROCK2
SCHEMBL8511790 0.75 ROCK2 (0.41) PRKD1PRKD2ADRB1PRKCAPRKCD
Hydrochloric Acid SCHEMBL8512525 0.74 ROCK2 (0.41) PRKD1PRKD2ADRB1PRKCAPRKCD
Hydrochloric Acid SCHEMBL8511580 0.74 ROCK2 (0.41) PRKD1PRKD2ADRB1PRKCAPRKCD

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-2012069852-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF SPHINGOSINE KINASE ALMAC DISCOVERY LIMITED (GB) 2012-05-31 WO claimed