SCHEMBL8515838

SCHEMBL8515838

CC(C)Oc1ccc(-c2ccnc(N3CCC(N)C3)n2)cc1C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DKK1 O94907 2/20 0.49
ROCK2 O75116 2/20 0.44
DYRK1A Q13627 2/20 0.43
KMO O15229 1/20 0.39
LRRK2 Q5S007 4/20 0.39
SUV39H2 Q9H5I1 2/20 0.38
PIM1 P11309 2/20 0.38
KARS1 Q15046 1/20 0.37
RET P07949 1/20 0.37
HRH4 Q9H3N8 2/20 0.37
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL8512439 0.94 DKK1 (0.56) DKK1ROCK2DYRK1AKMOKARS1
Hydrochloric Acid SCHEMBL8513412 0.93 DKK1 (0.55) DKK1ROCK2DYRK1AKMOSUV39H2
Ammonia Solution, Strong SCHEMBL8587136 0.89 DYRK1A (0.43) DKK1DYRK1AKMO
SCHEMBL8587138 0.88 DKK1 (0.52) DKK1ROCK2KMO
SCHEMBL8510671 0.87 DKK1 (0.44) DKK1KMOLRRK2
SCHEMBL8511678 0.86 DKK1 (0.58) DKK1ROCK2KMO
SCHEMBL8514134 0.84 DKK1 (0.42) DKK1KMORET
SCHEMBL8510840 0.84 KMO (0.43) DKK1KMOLRRK2PIM1
SCHEMBL8510739 0.84 ZAP70 (0.41) DKK1ROCK2KMOLRRK2SUV39H2
SCHEMBL8510734 0.84 ZAP70 (0.41) DKK1ROCK2KMOLRRK2SUV39H2

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