SCHEMBL484701

SCHEMBL484701

O=C1NCc2[nH]c3ccccc3c21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K11 Q16584 5/20 0.55
MAP3K9 P80192 4/20 0.55
PRKCA P17252 3/20 0.55
PRKCQ Q04759 2/20 0.55
PRKCD Q05655 2/20 0.55
PRKD3 O94806 1/20 0.55
PRKCG P05129 1/20 0.55
PRKCB P05771 1/20 0.55
GLI1 P08151 1/20 0.55
GLI2 P10070 1/20 0.55
CDK4 P11802 1/20 0.55
CTRB1 P17538 1/20 0.55
PRKACA P17612 1/20 0.55
PRKACG P22612 1/20 0.55
PRKACB P22694 1/20 0.55
CCND1 P24385 1/20 0.55
PRKCH P24723 1/20 0.55
PRKCI P41743 1/20 0.55
JAK3 P52333 1/20 0.55
PRKCE Q02156 1/20 0.55

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
SCHEMBL1286 0.82 KDM4E (0.58) MAP3K11MAP3K9PRKCAPRKCQPRKCD
SCHEMBL619090 0.80 KDR (0.60) MAP3K11MAP3K9PRKCAPRKCQPRKCD
SCHEMBL34467602 0.77 PRKD3 (0.44) MAP3K11MAP3K9PRKCAPRKCQPRKCD
SCHEMBL5830601 0.76 HTT (0.50) MAP3K11MAP3K9PRKCAPRKCQPRKCD
SCHEMBL13025156 0.75 MAP3K11 (0.60) MAP3K11MAP3K9PRKCAPRKCQPRKCD
SCHEMBL4287798 0.72 KDM4E (0.50) CHEK1PARP1KDM4EALDH1A1HPGD
SCHEMBL30451928 0.72 KDM4E (0.50) CHEK1PARP1KDM4EALDH1A1HPGD
SCHEMBL30897563 0.72 MEN1 (0.69) MAP3K11MAP3K9PRKCAPRKCQPRKCD
SCHEMBL6867398 0.71 CDK4 (0.49) PRKCAPRKCQPRKCDPRKD3PRKCG
Staurosporinone SCHEMBL29374983 0.71 MAP3K11 (1.00) MAP3K11MAP3K9PRKCAPRKCQPRKCD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411381-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-02-01 EP claimed
WO-2010108651-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2010-09-30 WO claimed
EP-2411381-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-02-01 EP disclosed
WO-2010108651-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2010-09-30 WO disclosed