SCHEMBL13639843

SCHEMBL13639843

O=C1NCc2c1c1c3ccccc3[nH]c1c1oc3ccccc3c21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K11 Q16584 8/20 1.00
MAP3K9 P80192 7/20 1.00
PRKCA P17252 5/20 0.70
PRKCQ Q04759 4/20 0.70
PRKCD Q05655 4/20 0.70
PRKD3 O94806 3/20 0.70
PRKCG P05129 3/20 0.70
PRKCB P05771 3/20 0.70
PRKCH P24723 3/20 0.70
PRKCI P41743 3/20 0.70
PRKCE Q02156 3/20 0.70
PRKCZ Q05513 3/20 0.70
PRKD1 Q15139 3/20 0.70
GLI1 P08151 2/20 0.70
GLI2 P10070 2/20 0.70
CDK4 P11802 1/20 0.70
CTRB1 P17538 1/20 0.70
PRKACA P17612 1/20 0.70
PRKACG P22612 1/20 0.70
PRKACB P22694 1/20 0.70

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
Staurosporinone SCHEMBL29389399 0.83 MAP3K11 (1.00) MAP3K11MAP3K9PRKCAPRKCQPRKCD
Staurosporinone SCHEMBL5440281 0.83 MAP3K11 (1.00) MAP3K11MAP3K9PRKCAPRKCQPRKCD
Staurosporinone SCHEMBL29374983 0.83 MAP3K11 (1.00) MAP3K11MAP3K9PRKCAPRKCQPRKCD
SCHEMBL29506369 0.75 MAP3K11 (0.59) MAP3K11MAP3K9PRKCAPRKCQPRKCD
SCHEMBL17228831 0.75 MAP3K11 (0.59) MAP3K11MAP3K9PRKCAPRKCQPRKCD
SCHEMBL30883881 0.75 MAP3K11 (0.59) MAP3K11MAP3K9PRKCAPRKCQPRKCD
SCHEMBL13639845 0.73 MAP3K11 (1.00) MAP3K11MAP3K9PRKCAPRKCQPRKCD
SCHEMBL9270827 0.73 MAP3K11 (0.78) MAP3K11MAP3K9PRKCAPRKCQPRKCD
SCHEMBL9263371 0.73 MAP3K11 (0.78) MAP3K11MAP3K9PRKCAPRKCQPRKCD
SCHEMBL19991873 0.73 MAP3K11 (0.56) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2350087-B1 REGIOSELECTIVE REDUCTION OF FUSED PYRROLOCARBAZOLES-5,7-DIONES CEPHALON FRANCE (FR) 2012-11-07 EP disclosed