SCHEMBL13639845

SCHEMBL13639845

O=C1NCc2c1c1c3ccccc3[nH]c1c1sc3ccccc3c21

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
NTRK1 P04629 2/20 0.91
MAP3K10 Q02779 2/20 0.91
PRKCA P17252 3/20 0.70
CDK4 P11802 2/20 0.70
CCND1 P24385 2/20 0.70
GLI1 P08151 2/20 0.70
GLI2 P10070 2/20 0.70
PRKCQ Q04759 2/20 0.70
PRKCD Q05655 2/20 0.70
PRKD3 O94806 1/20 0.70
PRKCG P05129 1/20 0.70
PRKCB P05771 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
PRKCH P24723 1/20 0.70
PRKCI P41743 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
SCHEMBL13140090 0.95 MAP3K11 (1.00) MAP3K11MAP3K9NTRK1MAP3K10PRKCA
Staurosporinone SCHEMBL29374983 0.83 MAP3K11 (1.00) MAP3K11MAP3K9NTRK1MAP3K10PRKCA
Staurosporinone SCHEMBL29389399 0.83 MAP3K11 (1.00) MAP3K11MAP3K9NTRK1MAP3K10PRKCA
Staurosporinone SCHEMBL5440281 0.83 MAP3K11 (1.00) MAP3K11MAP3K9NTRK1MAP3K10PRKCA
SCHEMBL29506382 0.75 MEN1 (0.69) MAP3K11MAP3K9NTRK1MAP3K10PRKCA
SCHEMBL15138782 0.75 MEN1 (0.69) MAP3K11MAP3K9NTRK1MAP3K10PRKCA
SCHEMBL30887363 0.75 MEN1 (0.69) MAP3K11MAP3K9NTRK1MAP3K10PRKCA
SCHEMBL22011388 0.75 MAP3K9 (0.67) MAP3K11MAP3K9NTRK1MAP3K10PRKCA
SCHEMBL16867092 0.74 MAP3K9 (0.65) MAP3K11MAP3K9NTRK1MAP3K10PRKCA
SCHEMBL9270827 0.73 MAP3K11 (0.78) MAP3K11MAP3K9NTRK1MAP3K10PRKCA

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